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CAS 17420-68-7

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

Description:
4-(Azepane-1-sulfonyl)-benzoic acid is a chemical compound characterized by its sulfonamide functional group attached to a benzoic acid moiety. The presence of the azepane ring, a seven-membered saturated nitrogen-containing heterocycle, contributes to its unique structural properties. This compound typically exhibits moderate solubility in polar solvents due to the sulfonyl and carboxylic acid groups, which can engage in hydrogen bonding. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as sulfonamides are known for their antibacterial properties. The compound may also exhibit interesting interactions with biological targets due to the presence of both the aromatic and aliphatic components. Additionally, the sulfonyl group can enhance the compound's stability and reactivity, making it a candidate for further chemical modifications. Overall, 4-(azepane-1-sulfonyl)-benzoic acid represents a versatile structure with potential utility in various chemical and biological applications.
Formula:C13H16NO4S
InChI:InChI=1/C13H17NO4S/c15-13(16)11-5-7-12(8-6-11)19(17,18)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2,(H,15,16)/p-1
SMILES:C1CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)[O-]
Synonyms:
  • benzoic acid, 4-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
  • 4-(Azepan-1-Ylsulfonyl)Benzoic Acid
  • 4-(Azepan-1-Ylsulfonyl)Benzoate
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