CAS 728864-62-8

2-Chloro-4-[[(hexahydro-1H-azepin-1-yl)carbonyl]amino]benzenesulfonyl chloride

Description:

2-Chloro-4-[[(hexahydro-1H-azepin-1-yl)carbonyl]amino]benzenesulfonyl chloride is a chemical compound characterized by its complex structure, which includes a sulfonyl chloride functional group and a hexahydro-1H-azepin moiety. This compound features a chloro substituent on a benzene ring, contributing to its reactivity and potential applications in organic synthesis. The presence of the sulfonyl chloride group indicates that it can act as a sulfonating agent, making it useful in various chemical reactions, including the formation of sulfonamides. The hexahydro-1H-azepin ring adds to its structural complexity and may influence its biological activity. This compound is likely to be a solid at room temperature and may require careful handling due to the reactivity of the sulfonyl chloride group, which can hydrolyze in the presence of moisture. Overall, its unique structure suggests potential applications in medicinal chemistry and materials science, although specific applications would depend on further research and development.

Formula: C₁₃H₁₆Cl₂N₂O₃S

InChI: InChI=1S/C13H16Cl2N2O3S/c14-11-9-10(5-6-12(11)21(15,19)20)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)

InChI key: InChIKey=BZXRFXCIRCBABX-UHFFFAOYSA-N

SMILES: N(C(=O)N1CCCCCC1)C2=CC(Cl)=C(S(Cl)(=O)=O)C=C2

Synonyms:

• 2-Chloro-4-[[(hexahydro-1H-azepin-1-yl)carbonyl]amino]benzenesulfonyl chloride
• Benzenesulfonyl chloride, 2-chloro-4-[[(hexahydro-1H-azepin-1-yl)carbonyl]amino]-