CAS 104941-61-9

4-Methyl-3-[(phenylamino)sulfonyl]benzoic acid

Description:

4-Methyl-3-[(phenylamino)sulfonyl]benzoic acid, with the CAS number 104941-61-9, is an organic compound characterized by its benzoic acid structure, which features a methyl group and a sulfonamide group attached to the aromatic ring. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of the sulfonamide functional group. The sulfonyl group contributes to its acidity and may enhance its reactivity in various chemical reactions. Additionally, the phenylamino substituent can influence the compound's biological activity, making it of interest in pharmaceutical research. The presence of multiple functional groups suggests that it may participate in hydrogen bonding, affecting its physical properties like melting point and solubility. Overall, 4-Methyl-3-[(phenylamino)sulfonyl]benzoic acid is a compound of interest in both synthetic organic chemistry and medicinal chemistry due to its structural features and potential applications.

Formula: C₁₄H₁₃NO₄S

InChI: InChI=1S/C14H13NO4S/c1-10-7-8-11(14(16)17)9-13(10)20(18,19)15-12-5-3-2-4-6-12/h2-9,15H,1H3,(H,16,17)

InChI key: InChIKey=OXNAPOSJPGMQMO-UHFFFAOYSA-N

SMILES: S(NC1=CC=CC=C1)(=O)(=O)C2=CC(C(O)=O)=CC=C2C

Synonyms:

• 4-Methyl-3-[(phenylamino)sulfonyl]benzoic acid
• Benzoic acid, 4-methyl-3-[(phenylamino)sulfonyl]-