CAS 612043-43-3

N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-β-alanine

Description:

N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-β-alanine, identified by its CAS number 612043-43-3, is a chemical compound characterized by its sulfonamide functional group, which is linked to a β-alanine moiety. This compound features a chlorinated aromatic ring with a trifluoromethyl substituent, contributing to its unique electronic properties and potential biological activity. The presence of the sulfonyl group enhances its solubility in polar solvents and may influence its reactivity and interaction with biological targets. Typically, compounds of this nature are investigated for their pharmacological properties, including potential as enzyme inhibitors or in other therapeutic applications. The trifluoromethyl group often imparts lipophilicity, which can affect the compound's absorption and distribution in biological systems. Overall, N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-β-alanine represents a class of compounds that may have significant implications in medicinal chemistry and drug development.

Formula: C₁₀H₉ClF₃NO₄S

InChI: InChI=1S/C10H9ClF3NO4S/c11-8-2-1-6(5-7(8)10(12,13)14)20(18,19)15-4-3-9(16)17/h1-2,5,15H,3-4H2,(H,16,17)

InChI key: InChIKey=LESWHGIWOFMIHL-UHFFFAOYSA-N

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

Synonyms:

• N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-β-alanine
• β-Alanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]-

3-({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)propanoic acid

CAS: 612043-43-3

Formula: C₁₀H₉ClF₃NO₄S

Purity: 95.0%

Molecular weight: 331.69

Ref: 10-F346288