N-cyclopentyl-N-methylsulfamoyl chloride

• ChemBase ID: 239487
• Molecular Formular: C6H12ClNO2S
• Molecular Mass: 197.68298
• Monoisotopic Mass: 197.02772731
• SMILES: S(=O)(=O)(N(C1CCCC1)C)Cl
• Canonical SMILES: CN(S(=O)(=O)Cl)C1CCCC1
• InChI: InChI=1S/C6H12ClNO2S/c1-8(11(7,9)10)6-4-2-3-5-6/h6H,2-5H2,1H3
• InChIKey: MGSFUELEYCQKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-methylsulfamoyl chloride
• IUPAC Traditional name: N-cyclopentyl-N-methylsulfamoyl chloride
• Synonyms: N-cyclopentyl-N-methylsulfamoyl chloride

Database IDs

• MDL Number: MFCD11625077
• PubChem SID: 164295397
• PubChem CID: 43267085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1510223
• LogD (pH = 7.4): 1.1510223
• Log P: 1.1510223
• Molar Refractivity: 45.0845 cm^3
• Polarizability: 18.364128 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.665

Product Information

• Purity: 95%