N-(chloromethyl)-N-methylmethanesulfonamide

• ChemBase ID: 244216
• Molecular Formular: C3H8ClNO2S
• Molecular Mass: 157.61912
• Monoisotopic Mass: 156.99642718
• SMILES: S(=O)(=O)(N(CCl)C)C
• Canonical SMILES: ClCN(S(=O)(=O)C)C
• InChI: InChI=1S/C3H8ClNO2S/c1-5(3-4)8(2,6)7/h3H2,1-2H3
• InChIKey: KQQDWTRRLDZEPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(chloromethyl)-N-methylmethanesulfonamide
• IUPAC Traditional name: N-(chloromethyl)-N-methylmethanesulfonamide
• Synonyms: N-(chloromethyl)-N-methylmethanesulfonamide

Database IDs

• MDL Number: MFCD19232091
• PubChem SID: 164300126
• PubChem CID: 12737194

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.47414044
• LogD (pH = 7.4): -0.47414044
• Log P: -0.47414044
• Molar Refractivity: 32.4997 cm^3
• Polarizability: 13.570985 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0010

Product Information

• Purity: 95%