CAS 613657-34-4

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

Description:

N-[(3-Chloro-4-fluorophenyl)sulfonyl]-β-alanine is a chemical compound characterized by its sulfonamide functional group, which is linked to a β-alanine backbone. This compound features a phenyl ring substituted with both a chlorine and a fluorine atom, contributing to its unique reactivity and potential biological activity. The presence of the sulfonyl group enhances its solubility in polar solvents and may influence its interaction with biological targets. Typically, compounds of this nature are investigated for their potential pharmaceutical applications, particularly in the development of drugs targeting specific enzymes or receptors. The structural characteristics, including the halogen substituents, can significantly affect the compound's pharmacokinetics and pharmacodynamics. Additionally, the compound's stability, melting point, and solubility can vary based on environmental conditions and the presence of other chemical species. As with many sulfonamides, it may exhibit antibacterial properties, although specific biological activity would require empirical testing. Safety and handling precautions should be observed due to the potential toxicity associated with halogenated compounds.

Formula: C₉H₉ClFNO₄S

InChI: InChI=1S/C9H9ClFNO4S/c10-7-5-6(1-2-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)

InChI key: InChIKey=QWDZIHCJRBNTMS-UHFFFAOYSA-N

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

Synonyms:

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

3-((3-chloro-4-fluorophenyl)sulfonamido)propanoic acid

CAS: 613657-34-4

Formula: C₉H₉ClFNO₄S

Purity: 95.0%

Molecular weight: 281.68

Ref: 10-F494625