CAS 612041-77-7

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

Description:

4-[[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]amino]benzoic acid, identified by its CAS number 612041-77-7, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a sulfonamide group. This compound features a chloro group and a trifluoromethyl group on the aromatic ring, 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 linkage can impart biological activity, making this compound of interest in pharmaceutical research. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of drugs targeting specific biological pathways. Additionally, the presence of halogen substituents often influences the compound's reactivity and interaction with biological systems. Safety data should be consulted for handling and usage, as halogenated compounds can pose environmental and health risks.

Formula: C₁₄H₉ClF₃NO₄S

InChI: InChI=1S/C14H9ClF3NO4S/c15-12-6-5-10(7-11(12)14(16,17)18)24(22,23)19-9-3-1-8(2-4-9)13(20)21/h1-7,19H,(H,20,21)

InChI key: InChIKey=LKMBNMYBFYNDKV-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 612041-77-7

Formula: C₁₄H₉ClF₃NO₄S

Purity: 95.0%

Molecular weight: 379.73

Ref: 10-F512280