N-butyl-N-methylsulfamoyl chloride

• ChemBase ID: 256074
• Molecular Formular: C5H12ClNO2S
• Molecular Mass: 185.67228
• Monoisotopic Mass: 185.02772731
• SMILES: S(=O)(=O)(N(CCCC)C)Cl
• Canonical SMILES: CCCCN(S(=O)(=O)Cl)C
• InChI: InChI=1S/C5H12ClNO2S/c1-3-4-5-7(2)10(6,8)9/h3-5H2,1-2H3
• InChIKey: RSZHWOKYCOLDNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08443279
• PubChem SID: 164311984
• PubChem CID: 16770019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1202195
• LogD (pH = 7.4): 1.1202195
• Log P: 1.1202195
• Molar Refractivity: 42.5449 cm^3
• Polarizability: 17.248575 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.78

Product Information

• Purity: 95%