CAS 1076199-51-3

6-[[(1,2-Benzisoxazol-3-ylmethyl)sulfonyl]amino]hexanoic acid

Description:

6-[[(1,2-Benzisoxazol-3-ylmethyl)sulfonyl]amino]hexanoic acid, with the CAS number 1076199-51-3, is a chemical compound characterized by its unique structure that includes a hexanoic acid backbone, a sulfonamide group, and a benzisoxazole moiety. This compound typically exhibits properties associated with both hydrophilicity and lipophilicity due to the presence of polar functional groups, which can influence its solubility in various solvents. The sulfonamide group may impart biological activity, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. The benzisoxazole ring contributes to the compound's potential for interaction with biological targets, possibly affecting its pharmacokinetics and pharmacodynamics. Additionally, the presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, further influencing its reactivity and stability. Overall, this compound's structural features suggest potential applications in drug development and research, particularly in areas related to anti-inflammatory or antimicrobial activities.

Formula: C₁₄H₁₈N₂O₅S

InChI: InChI=1S/C14H18N2O5S/c17-14(18)8-2-1-5-9-15-22(19,20)10-12-11-6-3-4-7-13(11)21-16-12/h3-4,6-7,15H,1-2,5,8-10H2,(H,17,18)

InChI key: InChIKey=NBHIYPDMMAHZJT-UHFFFAOYSA-N

SMILES: C(S(NCCCCCC(O)=O)(=O)=O)C=1C=2C(ON1)=CC=CC2

Synonyms:

• 6-[[(1,2-Benzisoxazol-3-ylmethyl)sulfonyl]amino]hexanoic acid
• Hexanoic acid, 6-[[(1,2-benzisoxazol-3-ylmethyl)sulfonyl]amino]-