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1-[(5-chloro-1-naphthyl)sulfonyl]-1,4-diazepane

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Identification
Molecular formula
C16H19ClN2O2S
CAS number
887268-92-4
IUPAC name
1-[(5-chloro-1-naphthyl)sulfonyl]-1,4-diazepane
State
State
At room temperature, the compound is in a solid state and commercially available typically as a powder or crystalline form. Ensure it is stored in a cool, dry place.
Melting point (Celsius)
171.00
Melting point (Kelvin)
444.15
Boiling point (Celsius)
403.00
Boiling point (Kelvin)
676.15
General information
Molecular weight
342.86g/mol
Molar mass
342.8260g/mol
Density
1.3190g/cm3
Appearence
This compound is typically crystalline and possesses a pale yellow color. It is often available in powder form, which can be sensitive to light and humidity, necessitating specific storage conditions to maintain its stability.
Comment on solubility

Solubility of 1-[(5-chloro-1-naphthyl)sulfonyl]-1,4-diazepane

The solubility of 1-[(5-chloro-1-naphthyl)sulfonyl]-1,4-diazepane (C16H19ClN2O2S) can be influenced by several factors, including its chemical structure and the presence of functional groups.

Generally, this compound exhibits a moderate to low solubility in various solvents. Here are some key considerations regarding its solubility:

  • Polarity: The presence of the sulfonyl group contributes to its polarity, which can enhance solubility in polar solvents such as water.
  • Organic Solvents: It is likely to be more soluble in organic solvents such as ethanol, methanol, or dimethyl sulfoxide (DMSO) due to its hydrophobic naphthalene ring structure.
  • Temperature Effects: As with many compounds, increasing the temperature can increase solubility in both polar and nonpolar solvents.
  • pH Sensitivity: The solubility may vary with pH, particularly if acidic or basic conditions can affect the ionization state of the sulfonyl group.

In summary, while 1-[(5-chloro-1-naphthyl)sulfonyl]-1,4-diazepane is expected to have variable solubility depending on the solvent and conditions, it is essential to test its solubility experimentally for precise applications. As the saying goes, "The devil is in the details," so a thorough understanding of the compound's interactions can lead to insightful predictions about its solubility behavior.

Interesting facts

Interesting Facts about 1-[(5-Chloro-1-naphthyl)sulfonyl]-1,4-diazepane

1-[(5-Chloro-1-naphthyl)sulfonyl]-1,4-diazepane is an intriguing compound that has garnered interest in various fields, particularly in medicinal chemistry. Here are some fascinating insights:

  • Pharmacological Potential: This compound has been studied for its potential therapeutic applications, owing to the presence of the 1naphthyl group, which is known for its biological activity. It can act on different biological targets, suggesting its role in drug development.
  • Sulfonamide Moiety: The sulfonyl functional group enhances the compound’s properties, which might improve its interaction with target molecules, thereby influencing its efficacy as a drug candidate.
  • Diazepane Ring: The diazepane structure introduces unique steric and electronic characteristics, making it a versatile scaffold for structural modifications. Scientists often explore diazepane derivatives for their varying pharmacological effects.
  • Chlorine Atom: The incorporation of the chlorine atom is significant as it often enhances the lipophilicity of the compound, which can improve membrane permeability and, consequently, the bioavailability of the drug.
  • Structure-Activity Relationship (SAR): Understanding SAR is crucial for optimizing the biological activity of this compound. Modifications to either the naphthyl or diazepane ring can lead to the discovery of more potent analogs.

As researchers continue to investigate this compound, its potential in the development of new therapeutic agents could illuminate new treatment pathways for various health conditions. A quote often heard in scientific circles is, “The next breakthrough may lie within the next molecule we explore.” 1-[(5-Chloro-1-naphthyl)sulfonyl]-1,4-diazepane exemplifies how seemingly straightforward changes to molecular structure can lead to significant advancements in pharmaceutical research.

Synonyms
ML-9 free base
110448-31-2
ML 9 (Free Base)
UNII-LTJ3F5128V
LTJ3F5128V
ML9
ML-9 (Free Base)
1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane
1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane
CHEMBL429298
DTXSID00149246
1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-)
1H-1,4-Diazepine, 1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-
1-[(5-chloro-1-naphthyl)sulfonyl]-1,4-diazepane
Tocris-0431
BiomolKI_000043
Lopac-C-1172
BiomolKI2_000008
Lopac0_000209
BSPBio_001271
GTPL4256
SCHEMBL2869228
DTXCID7071737
CHEBI:93202
Bio1_000449
Bio1_000938
Bio1_001427
HMS1792O13
HMS1990O13
HMS3403O13
HMS3674M05
ML-9; ML 9
BCP34095
BDBM50216681
AKOS040742155
CCG-100647
HY-100932A
SDCCGSBI-0050197.P002
SDCCGSBI-0050197.P004
NCGC00015214-01
NCGC00015214-02
NCGC00015214-03
NCGC00015214-04
NCGC00015214-05
NCGC00015214-06
NCGC00015214-07
NCGC00015214-11
NCGC00024586-01
NCGC00024586-02
NCGC00024586-03
NCGC00024586-04
NCGC00024586-05
DA-55556
CS-0066830
1-(5-chloronaphthalene-1-sulfonyl)homopiperazine
1-(5-chloronaphthalen-1-ylsulfonyl)-1,4-diazepane
1-(5-chloronaphthalene-1-sulfonyl)-1,4-diazepane
1-(5-chloronaphthalene-1-sulphonyl) homopiperazine
BRD-K68402494-001-03-9
BRD-K68402494-001-04-7
BRD-K68402494-003-01-9
BRD-K68402494-003-03-5
BRD-K68402494-003-04-3
Q27087244
5-Chloro-1-(1,4-diazaperhydroepinylsulfonyl)naphthalene