N-benzyl-N-methylsulfamoyl chloride

• ChemBase ID: 125022
• Molecular Formular: C8H10ClNO2S
• Molecular Mass: 219.6885
• Monoisotopic Mass: 219.01207725
• SMILES: S(=O)(=O)(N(Cc1ccccc1)C)Cl
• Canonical SMILES: CN(S(=O)(=O)Cl)Cc1ccccc1
• InChI: InChI=1S/C8H10ClNO2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
• InChIKey: VURHMMRCYKRHOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 36959-70-3
• MDL Number: MFCD08443200
• PubChem SID: 162219375
• PubChem CID: 12246982

CALCULATED PROPERTIES

• Polarizability: 21.254778 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5207936
• LogD (pH = 7.4): 1.5207936
• Log P: 1.5207936
• Molar Refractivity: 53.2839 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.961

Product Information

• Purity: 95%