N-(3,4-dimethoxyphenyl)benzenesulfonamide

• ChemBase ID: 301705
• Molecular Formular: C14H15NO4S
• Molecular Mass: 293.3382
• Monoisotopic Mass: 293.07217897
• SMILES: COc1ccc(cc1OC)NS(=O)(=O)c1ccccc1
• Canonical SMILES: COc1cc(ccc1OC)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C14H15NO4S/c1-18-13-9-8-11(10-14(13)19-2)15-20(16,17)12-6-4-3-5-7-12/h3-10,15H,1-2H3
• InChIKey: AWMVSQUGEOFWMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)benzenesulfonamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)benzenesulfonamide
• Synonyms: N-(3,4-Dimethoxyphenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD01986029

CALCULATED PROPERTIES

• Acid pKa: 7.9070334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1440647
• LogD (pH = 7.4): 2.04306
• Log P: 2.1455686
• Molar Refractivity: 75.8166 cm^3
• Polarizability: 30.240322 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• 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%