N-methyl-N-(2-methylpropyl)sulfamoyl chloride

• ChemBase ID: 247773
• Molecular Formular: C5H12ClNO2S
• Molecular Mass: 185.67228
• Monoisotopic Mass: 185.02772731
• SMILES: S(=O)(=O)(N(CC(C)C)C)Cl
• Canonical SMILES: CC(CN(S(=O)(=O)Cl)C)C
• InChI: InChI=1S/C5H12ClNO2S/c1-5(2)4-7(3)10(6,8)9/h5H,4H2,1-3H3
• InChIKey: BSJMWAIBHXXHJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-methylpropyl)sulfamoyl chloride
• IUPAC Traditional name: N-methyl-N-(2-methylpropyl)sulfamoyl chloride
• Synonyms: N-methyl-N-(2-methylpropyl)sulfamoyl chloride; isobutyl(methyl)sulfamoyl chloride

Database IDs

• CAS Number: 263169-14-8
• MDL Number: MFCD11520378
• PubChem SID: 164303683
• PubChem CID: 43272017

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.0406237
• LogD (pH = 7.4): 1.0406237
• Log P: 1.0406237
• Molar Refractivity: 42.4155 cm^3
• Polarizability: 17.248579 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.65

Product Information

• Purity: 95%; 98%