CAS 852296-87-8

3-[[(2-Cyanoethyl)amino]sulfonyl]benzoic acid

Description:

3-[[(2-Cyanoethyl)amino]sulfonyl]benzoic acid is a chemical compound characterized by its unique functional groups and structure. It features a benzoic acid moiety, which is a benzene ring substituted with a carboxylic acid group, contributing to its acidic properties. The presence of a sulfonamide group, specifically a sulfonyl linkage to an amino group, enhances its reactivity and solubility in polar solvents. The cyanoethyl substituent introduces a nitrile functional group, which can participate in various chemical reactions, including nucleophilic additions. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of drugs targeting specific biological pathways. Additionally, the compound's properties, such as solubility, stability, and reactivity, can be influenced by the pH of the environment and the presence of other functional groups. Overall, 3-[[(2-Cyanoethyl)amino]sulfonyl]benzoic acid is a versatile compound with potential applications in various fields of chemistry and biology.

Formula: C₁₀H₁₀N₂O₄S

InChI: InChI=1S/C10H10N2O4S/c11-5-2-6-12-17(15,16)9-4-1-3-8(7-9)10(13)14/h1,3-4,7,12H,2,6H2,(H,13,14)

InChI key: InChIKey=UIYOLXUUWLHYMH-UHFFFAOYSA-N

SMILES: S(NCCC#N)(=O)(=O)C1=CC(C(O)=O)=CC=C1

Synonyms:

• Benzoic acid, 3-[[(2-cyanoethyl)amino]sulfonyl]-
• 3-[[(2-Cyanoethyl)amino]sulfonyl]benzoic acid