1-(benzenesulfonyl)-4-iodobenzene

• ChemBase ID: 311882
• Molecular Formular: C12H9IO2S
• Molecular Mass: 344.16813
• Monoisotopic Mass: 343.93679853
• SMILES: S(=O)(=O)(c1ccc(cc1)I)c1ccccc1
• Canonical SMILES: Ic1ccc(cc1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H9IO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
• InChIKey: GEAYTJRLFFTZNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzenesulfonyl)-4-iodobenzene
• IUPAC Traditional name: 1-(benzenesulfonyl)-4-iodobenzene
• Synonyms: 1-iodo-4-(phenylsulfonyl)benzene

Database IDs

• CAS Number: 14774-79-9
• MDL Number: MFCD02040215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.857025
• LogD (pH = 7.4): 3.857025
• Log P: 3.857025
• Molar Refractivity: 72.9527 cm^3
• Polarizability: 29.457369 Å^3
• Polar Surface Area: 34.14 Å^2