CAS 728864-68-4

4-[[(Hexahydro-1H-azepin-1-yl)carbonyl]amino]benzenesulfonyl chloride

Description:

4-[[(Hexahydro-1H-azepin-1-yl)carbonyl]amino]benzenesulfonyl chloride, with the CAS number 728864-68-4, is a chemical compound characterized by its sulfonyl chloride functional group, which is known for its reactivity and ability to form sulfonamides. The presence of the hexahydro-1H-azepin moiety indicates that the compound contains a saturated nitrogen-containing heterocycle, contributing to its potential biological activity. The carbonyl and amino groups suggest that it can participate in various chemical reactions, including acylation and nucleophilic substitution. This compound is likely to be a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its reactivity as a sulfonyl chloride makes it useful in synthetic organic chemistry, particularly in the preparation of sulfonamides and other derivatives. Safety precautions should be taken when handling this compound, as sulfonyl chlorides can be corrosive and may release toxic gases upon reaction with water or moisture.

Formula: C₁₃H₁₇ClN₂O₃S

InChI: InChI=1S/C13H17ClN2O3S/c14-20(18,19)12-7-5-11(6-8-12)15-13(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H,15,17)

InChI key: InChIKey=NKBQJKXTJMORPK-UHFFFAOYSA-N

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

Synonyms:

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