CAS 613657-61-7

4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid

Description:

4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid, identified by its CAS number 613657-61-7, is a chemical compound characterized by its sulfonamide functional group and a trifluoromethyl substituent on the aromatic ring. This compound typically exhibits properties such as high solubility in polar solvents and moderate stability under standard conditions. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The sulfonamide moiety contributes to its potential as a therapeutic agent, as sulfonamides are known for their antibacterial properties. Additionally, the carboxylic acid group in the structure can participate in hydrogen bonding, affecting its reactivity and interactions with biological targets. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of new drugs or agrochemicals.

Formula: C₁₄H₁₀F₃NO₄S

InChI: InChI=1S/C14H10F3NO4S/c15-14(16,17)10-2-1-3-12(8-10)23(21,22)18-11-6-4-9(5-7-11)13(19)20/h1-8,18H,(H,19,20)

InChI key: InChIKey=NJEQBXPASRIDHG-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]-
• 4-[[[3-(Trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid

4-((3-(trifluoromethyl)phenyl)sulfonamido)benzoic acid

CAS: 613657-61-7

Formula: C₁₄H₁₀F₃NO₄S

Purity: 95.0%

Molecular weight: 345.29

Ref: 10-F494685

4-(([3-(Trifluoromethyl)phenyl]sulfonyl)amino)benzoic acid

CAS: 613657-61-7

Versatile small molecule scaffold

Formula: C₁₄H₁₀F₃NO₄S

Purity: Min. 95%

Molecular weight: 345.3 g/mol

Ref: 3D-NZA65761