N-(2-iodophenyl)benzenesulfonamide

• ChemBase ID: 301538
• Molecular Formular: C12H10INO2S
• Molecular Mass: 359.18277
• Monoisotopic Mass: 358.94769757
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1ccccc1I
• Canonical SMILES: Ic1ccccc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H10INO2S/c13-11-8-4-5-9-12(11)14-17(15,16)10-6-2-1-3-7-10/h1-9,14H
• InChIKey: JQTVJAXMBVZFOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-iodophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(2-iodophenyl)benzenesulfonamide
• Synonyms: N-(2-Iodophenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD01211967

CALCULATED PROPERTIES

• Acid pKa: 9.055436
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3897486
• LogD (pH = 7.4): 3.381452
• Log P: 3.3898556
• Molar Refractivity: 76.2527 cm^3
• Polarizability: 30.323004 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• 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%