N-methyl-N-(propan-2-yl)sulfamoyl chloride

• ChemBase ID: 257855
• Molecular Formular: C4H10ClNO2S
• Molecular Mass: 171.6457
• Monoisotopic Mass: 171.01207725
• SMILES: S(=O)(=O)(N(C(C)C)C)Cl
• Canonical SMILES: CC(N(S(=O)(=O)Cl)C)C
• InChI: InChI=1S/C4H10ClNO2S/c1-4(2)6(3)9(5,7)8/h4H,1-3H3
• InChIKey: GAOQGZLCQBFHCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(propan-2-yl)sulfamoyl chloride
• IUPAC Traditional name: N-isopropyl-N-methylsulfamoyl chloride
• Synonyms: isopropyl(methyl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD09741593
• PubChem SID: 164313765
• PubChem CID: 16794766

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.56970346
• LogD (pH = 7.4): 0.56970346
• Log P: 0.56970346
• Molar Refractivity: 37.8387 cm^3
• Polarizability: 15.433956 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.031

Product Information

• Purity: 95%