N-cyclohexylsulfamoyl chloride

• ChemBase ID: 800422
• Molecular Formular: C6H12ClNO2S
• Molecular Mass: 197.68298
• Monoisotopic Mass: 197.02772731
• SMILES: O=S(=O)(NC1CCCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)NC1CCCCC1
• InChI: InChI=1S/C6H12ClNO2S/c7-11(9,10)8-6-4-2-1-3-5-6/h6,8H,1-5H2
• InChIKey: FGZSEUXOFDMNEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylsulfamoyl chloride
• IUPAC Traditional name: N-cyclohexylsulfamoyl chloride
• Synonyms: cyclohexylsulfamoyl chloride

CALCULATED PROPERTIES

• Acid pKa: 8.988862
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3717902
• LogD (pH = 7.4): 1.3621389
• Log P: 1.371915
• Molar Refractivity: 44.7888 cm^3
• Polarizability: 18.36386 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%