CAS 1016709-80-0

4-[(2-Amino-2-oxoethyl)sulfonyl]benzoic acid

Description:

4-[(2-Amino-2-oxoethyl)sulfonyl]benzoic acid, identified by its CAS number 1016709-80-0, is a chemical compound characterized by its sulfonamide functional group and a carboxylic acid moiety. This compound features a benzoic acid structure with a sulfonyl group attached to a 4-position carbon, which is further substituted with an amino-oxoethyl group. The presence of the amino group suggests potential for hydrogen bonding and reactivity, while the sulfonyl group contributes to its solubility in polar solvents. The compound may exhibit biological activity, potentially serving as a pharmaceutical intermediate or a research chemical. Its molecular structure indicates it could participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the compound's properties, such as melting point, solubility, and stability, would be influenced by the functional groups present, making it of interest in both synthetic and medicinal chemistry contexts. Further studies would be necessary to fully elucidate its reactivity and potential applications.

Formula: C₉H₉NO₅S

InChI: InChI=1S/C9H9NO5S/c10-8(11)5-16(14,15)7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)

InChI key: InChIKey=LZSDDOWGECBURY-UHFFFAOYSA-N

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

Synonyms:

• 4-[(2-Amino-2-oxoethyl)sulfonyl]benzoic acid
• Benzoic acid, 4-[(2-amino-2-oxoethyl)sulfonyl]-