1-chloro-N,N-dimethylmethanesulfonamide

• ChemBase ID: 308732
• Molecular Formular: C3H8ClNO2S
• Molecular Mass: 157.61912
• Monoisotopic Mass: 156.99642718
• SMILES: S(=O)(=O)(N(C)C)CCl
• Canonical SMILES: ClCS(=O)(=O)N(C)C
• InChI: InChI=1S/C3H8ClNO2S/c1-5(2)8(6,7)3-4/h3H2,1-2H3
• InChIKey: ZXITUKQGFPKRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-N,N-dimethylmethanesulfonamide
• IUPAC Traditional name: 1-chloro-N,N-dimethylmethanesulfonamide
• Synonyms: 1-chloro-N,N-dimethylmethanesulfonamide

Database IDs

• CAS Number: 35427-68-0
• MDL Number: MFCD03085928

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3145273
• LogD (pH = 7.4): -0.3145273
• Log P: -0.3145273
• Molar Refractivity: 32.5713 cm^3
• Polarizability: 13.571885 Å^3
• Polar Surface Area: 37.38 Å^2