N-cyclohexyl-N-methylsulfamoyl chloride

• ChemBase ID: 125021
• Molecular Formular: C7H14ClNO2S
• Molecular Mass: 211.70956
• Monoisotopic Mass: 211.04337737
• SMILES: S(=O)(=O)(N(C1CCCCC1)C)Cl
• Canonical SMILES: CN(S(=O)(=O)Cl)C1CCCCC1
• InChI: InChI=1S/C7H14ClNO2S/c1-9(12(8,10)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3
• InChIKey: RQDWFSSEDVWNMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methylsulfamoyl chloride
• IUPAC Traditional name: N-cyclohexyl-N-methylsulfamoyl chloride
• Synonyms: cyclohexyl(methyl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD08443401
• PubChem SID: 162219374
• PubChem CID: 12798263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.595591
• LogD (pH = 7.4): 1.595591
• Log P: 1.595591
• Molar Refractivity: 49.6855 cm^3
• Polarizability: 20.18417 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.224

Product Information

• Purity: 95%