N-(3-iodophenyl)benzenesulfonamide

• ChemBase ID: 301695
• Molecular Formular: C12H10INO2S
• Molecular Mass: 359.18277
• Monoisotopic Mass: 358.94769757
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)I
• Canonical SMILES: Ic1cccc(c1)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H10INO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H
• InChIKey: KYJXTHISCYYNTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-iodophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(3-iodophenyl)benzenesulfonamide
• Synonyms: N-(3-Iodophenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD01986021

CALCULATED PROPERTIES

• Acid pKa: 7.7840605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3878608
• LogD (pH = 7.4): 3.2597034
• Log P: 3.3898556
• Molar Refractivity: 76.2527 cm^3
• Polarizability: 30.316147 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%