N-(3,4-dimethylphenyl)benzenesulfonamide

• ChemBase ID: 301493
• Molecular Formular: C14H15NO2S
• Molecular Mass: 261.3394
• Monoisotopic Mass: 261.08234973
• SMILES: Cc1ccc(cc1C)NS(=O)(=O)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1C)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C14H15NO2S/c1-11-8-9-13(10-12(11)2)15-18(16,17)14-6-4-3-5-7-14/h3-10,15H,1-2H3
• InChIKey: XINGRMTXYWXZEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)benzenesulfonamide
• IUPAC Traditional name: N-(3,4-dimethylphenyl)benzenesulfonamide
• Synonyms: N-(3,4-Dimethylphenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD01212619

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 8.00122
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4865427
• LogD (pH = 7.4): 3.4029074
• Log P: 3.4877539
• Molar Refractivity: 72.9726 cm^3
• Polarizability: 28.712557 Å^3
• Polar Surface Area: 46.17 Å^2

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%