N-methyl-N-propylsulfamoyl chloride

• ChemBase ID: 239432
• Molecular Formular: C4H10ClNO2S
• Molecular Mass: 171.6457
• Monoisotopic Mass: 171.01207725
• SMILES: S(=O)(=O)(N(CCC)C)Cl
• Canonical SMILES: CCCN(S(=O)(=O)Cl)C
• InChI: InChI=1S/C4H10ClNO2S/c1-3-4-6(2)9(5,7)8/h3-4H2,1-2H3
• InChIKey: MHIVSJQHEDZPPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-propylsulfamoyl chloride
• IUPAC Traditional name: N-methyl-N-propylsulfamoyl chloride
• Synonyms: N-methyl-N-propylsulfamoyl chloride

Database IDs

• MDL Number: MFCD11627127
• PubChem SID: 164295342
• PubChem CID: 12919367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.67565084
• LogD (pH = 7.4): 0.67565084
• Log P: 0.67565084
• Molar Refractivity: 37.9439 cm^3
• Polarizability: 15.433916 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.251

Product Information

• Purity: 95%