N-cyclopropyl-N-methylsulfamoyl chloride

• ChemBase ID: 277008
• Molecular Formular: C4H8ClNO2S
• Molecular Mass: 169.62982
• Monoisotopic Mass: 168.99642718
• SMILES: S(=O)(=O)(N(C1CC1)C)Cl
• Canonical SMILES: CN(S(=O)(=O)Cl)C1CC1
• InChI: InChI=1S/C4H8ClNO2S/c1-6(4-2-3-4)9(5,7)8/h4H,2-3H2,1H3
• InChIKey: RUNYZAPPVYTBFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11623953
• PubChem SID: 164332918
• PubChem CID: 22636994

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.26188502
• LogD (pH = 7.4): 0.26188502
• Log P: 0.26188502
• Molar Refractivity: 35.8825 cm^3
• Polarizability: 14.738771 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.223

Product Information

• Purity: 95%