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CAS 328032-91-3

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3-(AZEPANE-1-SULFONYL)-4-CHLORO-BENZOIC ACID

Description:
3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a chlorine atom and a sulfonamide group derived from azepane. The presence of the azepane ring, a seven-membered saturated nitrogen-containing heterocycle, contributes to the compound's potential biological activity and solubility properties. The sulfonyl group enhances the compound's reactivity and can influence its interactions with biological targets. This compound is likely to exhibit moderate to high polarity due to the carboxylic acid and sulfonamide functional groups, which can engage in hydrogen bonding. Its chlorine substitution may also affect its electronic properties and steric hindrance, influencing its reactivity and potential applications in medicinal chemistry. Overall, 3-(azepane-1-sulfonyl)-4-chloro-benzoic acid is of interest in pharmaceutical research, particularly for its potential as a lead compound in drug development.
Formula:C13H16ClNO4S
InChI:InChI=1S/C13H16ClNO4S/c14-11-6-5-10(13(16)17)9-12(11)20(18,19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17)
InChI key:BXTRTBOJIIUKFA-UHFFFAOYSA-N
SMILES:C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
Synonyms:
  • 3-(AZEPANE-1-SULFONYL)-4-CHLORO-BENZOIC ACID
  • 4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid
  • 3-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid
  • Benzoic acid, 4-chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
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