N-(pyridin-3-yl)benzenesulfonamide

• ChemBase ID: 299380
• Molecular Formular: C11H10N2O2S
• Molecular Mass: 234.2743
• Monoisotopic Mass: 234.04629857
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1cccnc1
• Canonical SMILES: O=S(=O)(c1ccccc1)Nc1cccnc1
• InChI: InChI=1S/C11H10N2O2S/c14-16(15,11-6-2-1-3-7-11)13-10-5-4-8-12-9-10/h1-9,13H
• InChIKey: UFVHQLOWDFKPIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-3-yl)benzenesulfonamide
• IUPAC Traditional name: N-(pyridin-3-yl)benzenesulfonamide
• Synonyms: N-(3-Pyridyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD00545380
• PubChem SID: 180684911
• PubChem CID: 339079

CALCULATED PROPERTIES

• Acid pKa: 7.195877
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2329661
• LogD (pH = 7.4): 0.90079916
• Log P: 1.2432387
• Molar Refractivity: 60.7333 cm^3
• Polarizability: 24.294157 Å^3
• Polar Surface Area: 59.06 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%