N-methyl-1-phenylmethanesulfonamide

• ChemBase ID: 260458
• Molecular Formular: C8H11NO2S
• Molecular Mass: 185.24344
• Monoisotopic Mass: 185.0510496
• SMILES: S(=O)(=O)(NC)Cc1ccccc1
• Canonical SMILES: CNS(=O)(=O)Cc1ccccc1
• InChI: InChI=1S/C8H11NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• InChIKey: NYLBABUQWKLNCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-phenylmethanesulfonamide
• IUPAC Traditional name: N-methyl-1-phenylmethanesulfonamide
• Synonyms: N-methylphenylmethanesulfonamide

Database IDs

• MDL Number: MFCD01214383
• PubChem SID: 164316368
• PubChem CID: 290582

CALCULATED PROPERTIES

• Acid pKa: 11.279664
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5650883
• LogD (pH = 7.4): 0.56503814
• Log P: 0.56508887
• Molar Refractivity: 47.7 cm^3
• Polarizability: 19.324553 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.78

Product Information

• Purity: 95%