N-(naphthalen-1-yl)benzenesulfonamide

• ChemBase ID: 299246
• Molecular Formular: C16H13NO2S
• Molecular Mass: 283.34492
• Monoisotopic Mass: 283.06669966
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1cccc2c1cccc2
• Canonical SMILES: O=S(=O)(c1ccccc1)Nc1cccc2c1cccc2
• InChI: InChI=1S/C16H13NO2S/c18-20(19,14-9-2-1-3-10-14)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
• InChIKey: VRKMDUCAEICPMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-yl)benzenesulfonamide
• IUPAC Traditional name: N-(naphthalen-1-yl)benzenesulfonamide
• Synonyms: N-(1-Naphthyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD00422468
• PubChem SID: 180684777
• PubChem CID: 253799

CALCULATED PROPERTIES

• Acid pKa: 7.565426
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.447094
• LogD (pH = 7.4): 3.2568266
• Log P: 3.450388
• Molar Refractivity: 79.3404 cm^3
• Polarizability: 32.72007 Å^3
• Polar Surface Area: 46.17 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%