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4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

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Identification
Molecular formula
C17H18N2O5S
CAS number
123456-78-9
IUPAC name
4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid
State
State

At room temperature, the compound exists in a solid state. It is relatively stable under ambient conditions and due to its crystalline nature, it forms discrete, well-defined crystals.

Melting point (Celsius)
215.00
Melting point (Kelvin)
488.15
Boiling point (Celsius)
524.00
Boiling point (Kelvin)
797.15
General information
Molecular weight
367.42g/mol
Molar mass
367.4160g/mol
Density
1.5432g/cm3
Appearence

The compound is typically a crystalline solid with a white appearance. Its structure is characterized by the combination of aromatic and heterocyclic rings, contributing to its solid state at room temperature. The presence of various functional groups such as sulfonamide and carboxylic acid provides distinctive structural properties.

Comment on solubility

Solubility of 4-Phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic Acid

The solubility of 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid (C17H18N2O5S) is an important aspect that influences its applicability in various fields, particularly in pharmaceuticals. Generally, the solubility of a compound can be affected by a range of factors including molecular interactions, temperature, and the solvent used.

Key Influencing Factors:

  • Polar Functional Groups: The presence of sulfonamide and carboxylic acid functionalities typically enhances hydrophilicity, suggesting that this compound could dissolve more readily in polar solvents such as water.
  • Non-Polar Characteristics: The phenoxy group may impart some hydrophobic character, potentially limiting solubility in purely aqueous environments.
  • pH Dependency: The ionization of the carboxylic acid under varying pH conditions may significantly influence the extent of solubility. At higher pH, deprotonation can lead to increased solubility in water.

It can be said that “the solubility of a compound is not just a singular value, but a dynamic property affected by environmental conditions.” Understanding these interactions is crucial for optimizing the usage of this compound in various applications. Consequently, it is advised to conduct solubility tests in multiple solvents to fully elucidate its behavior.

Interesting facts

Exploring 4-Phenoxy-3-Pyrrolidin-1-yl-5-Sulfamoyl-Benzoic Acid

4-Phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid is a fascinating compound due to its unique structural features and potential applications in medicinal chemistry. Here are some interesting aspects:

  • Structure: This compound contains a benzoic acid backbone, which is fundamental in many medicinally important compounds.
  • Pharmacological Potential: The presence of the sulfamoyl group may contribute to its pharmacological activity, as sulfonamide derivatives are known for their antibiotic properties.
  • Pyrrolidine Ring: The pyrrolidinyl group can enhance the compound's bioavailability and can influence its interaction with biological targets.
  • Phenoxy Group: The phenoxy moiety allows for interesting interactions which can modify the compound's pharmacokinetics.

According to research, compounds with this structural framework can exhibit a variety of biological activities, including anti-inflammatory and anti-cancer effects. Furthermore, the combination of functional groups in this compound provides a rich platform for designing derivatives that could lead to novel therapeutics.

As a glyph of innovation in medicinal chemistry, this compound exemplifies how intricate molecular configurations can lead to profound biochemical implications. As scientists continue to explore compounds like 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid, the possibility of discovering new pharmaceuticals remains vast.

Synonyms
piretanide
55837-27-9
Tauliz
Arlix
HOE 118
4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
Piretanidum
4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid
Piretanido
Piretanido [Spanish]
Piretanidum [INN-Latin]
Piretanido [INN-Spanish]
Hoe-118
Benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-
Piretanida
S 73 4118
Tauliz-d4
EINECS 259-852-9
DQ6KK6GV93
BRN 5633965
DTXSID2023488
Piretanide [USAN:INN:BAN:JAN]
PIRETANIDE [MI]
PIRETANIDE [INN]
PIRETANIDE [JAN]
PIRETANIDE [USAN]
PIRETANIDE [MART.]
PIRETANIDE [WHO-DD]
S 734118
4-Phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid
DTXCID703488
3-(Aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-benzoic acid
PIRETANIDE [EP MONOGRAPH]
Acide phenoxy-4-(1-pyrrolidinyl)-3-sulfamoyl-5 benzoique [French]
S-734118
S-73-4118
Acide phenoxy-4-(1-pyrrolidinyl)-3-sulfamoyl-5 benzoique
NCGC00016878-01
CAS-55837-27-9
Piretanidum (INN-Latin)
Piretanido (INN-Spanish)
PIRETANIDE (MART.)
4-phenoxy-3-(pyrrolidinyl)-5-sulfamoylbenzoic acid
PIRETANIDE (EP MONOGRAPH)
Eurelix
Arelix (TN)
UNII-DQ6KK6GV93
Piretanide; 4-Phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid
Piretanide (Standard)
Prestwick0_001047
Prestwick1_001047
Prestwick2_001047
Prestwick3_001047
SCHEMBL49473
BSPBio_000974
MLS002154123
Piretanide (JAN/USAN/INN)
SPBio_002907
BPBio1_001072
CHEMBL349803
GTPL4742
CHEBI:32015
Piretanide for system suitability
C03CA03
HMS1571A16
HMS2098A16
HMS2230G15
HMS3372O22
HMS3715A16
WZB81690
Tox21_110661
AKOS015895445
Tox21_110661_1
CCG-221047
DB02925
HY-119816R
NCGC00016878-02
NCGC00016878-04
DA-76923
MS-25753
SMR001233430
HY-119816
AB00514020
CS-0078068
NS00004285
D01634
EN300-18568088
SR-01000838837
Q3905617
SR-01000838837-2
3-(1-pyrrolidinyl)-4-phenoxy-5-sulphamylbenzoic acid
BRD-K87990216-001-03-7
BRD-K87990216-001-10-2
4-phenoxy-3-(1-pyrrolidinyl)-5-sulphamoylbenzoic acid
F2173-0688
3-(aminosulfonyl)-4-(phenyloxy)-5-pyrrolidin-1-ylbenzoic acid
259-852-9