CAS 860699-55-4

3-[[(Phenylmethyl)sulfonyl]amino]benzoic acid

Description:

3-[[(Phenylmethyl)sulfonyl]amino]benzoic acid, also known by its CAS number 860699-55-4, is an organic compound characterized by its sulfonamide functional group and a carboxylic acid moiety. This compound features a benzoic acid backbone with a phenylmethylsulfonyl group attached to the amino position, which contributes 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 sulfonamide and carboxylic acid groups. The sulfonamide group can participate in hydrogen bonding, influencing its reactivity and interactions with biological targets. This compound may be of interest in pharmaceutical research, particularly in the development of drugs targeting specific biological pathways. Its structural characteristics suggest potential applications in medicinal chemistry, where modifications to the sulfonamide or carboxylic acid groups could enhance its efficacy or selectivity. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₄H₁₃NO₄S

InChI: InChI=1S/C14H13NO4S/c16-14(17)12-7-4-8-13(9-12)15-20(18,19)10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)

InChI key: InChIKey=QIKUOKKSPSEHEY-UHFFFAOYSA-N

SMILES: N(S(CC1=CC=CC=C1)(=O)=O)C2=CC(C(O)=O)=CC=C2

Synonyms:

• Benzoic acid, 3-[[(phenylmethyl)sulfonyl]amino]-
• 3-[[(Phenylmethyl)sulfonyl]amino]benzoic acid
• 3-Phenylmethanesulfonamidobenzoic acid
• Benzoic acid, m-α-toluenesulfonamido-

3-Phenylmethanesulfonamidobenzoic acid

CAS: 860699-55-4

Versatile small molecule scaffold

Formula: C₁₄H₁₃NO₄S

Purity: Min. 95%

Molecular weight: 291.3 g/mol

Ref: 3D-KJB69955