N-methyl-N-phenylbenzenesulfonamide

• ChemBase ID: 301659
• Molecular Formular: C13H13NO2S
• Molecular Mass: 247.31282
• Monoisotopic Mass: 247.06669966
• SMILES: CN(S(=O)(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: CN(S(=O)(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H13NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h2-11H,1H3
• InChIKey: KRXAPUFKQQWAGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-phenylbenzenesulfonamide
• IUPAC Traditional name: N-methyl-N-phenylbenzenesulfonamide
• Synonyms: N-Methyl-N-phenylbenzenesulfonamide

Database IDs

• CAS Number: 90-10-8
• MDL Number: MFCD00514036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6845872
• LogD (pH = 7.4): 2.6845872
• Log P: 2.6845872
• Molar Refractivity: 67.7869 cm^3
• Polarizability: 27.025217 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%