CAS 104941-56-2

2-Methyl-5-[[(4-methylphenyl)amino]sulfonyl]benzoic acid

Description:

2-Methyl-5-[[(4-methylphenyl)amino]sulfonyl]benzoic acid, with the CAS number 104941-56-2, is an organic compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a methyl group and a sulfonamide group. This compound features a sulfonyl group attached to an amino group, which is further substituted with a para-methylphenyl group, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid functional group. The sulfonamide functionality can impart biological activity, making it of interest in pharmaceutical research. The compound's molecular structure suggests potential interactions with biological targets, which may be explored for therapeutic applications. Additionally, its stability and reactivity can be influenced by the presence of the sulfonyl and carboxylic acid groups, making it a candidate for further studies in medicinal chemistry and material science.

Formula: C₁₅H₁₅NO₄S

InChI: InChI=1S/C15H15NO4S/c1-10-3-6-12(7-4-10)16-21(19,20)13-8-5-11(2)14(9-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)

InChI key: InChIKey=CSXANMDCODNXIY-UHFFFAOYSA-N

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

Synonyms:

• 2-Methyl-5-[[(4-methylphenyl)amino]sulfonyl]benzoic acid
• Benzoic acid, 2-methyl-5-[[(4-methylphenyl)amino]sulfonyl]-
• 2-Methyl-5-[(4-methylphenyl)sulfamoyl]benzoic acid