(E)-N-(benzenesulfonyl)benzene-1-carbonimidoyl chloride

• ChemBase ID: 229329
• Molecular Formular: C13H10ClNO2S
• Molecular Mass: 279.742
• Monoisotopic Mass: 279.01207725
• SMILES: S(=O)(=O)(/N=C(\c1ccccc1)/Cl)c1ccccc1
• Canonical SMILES: Cl/C(=N/S(=O)(=O)c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C13H10ClNO2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H/b15-13+
• InChIKey: FMGSGATZZHTVKD-FYWRMAATSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-(benzenesulfonyl)benzene-1-carbonimidoyl chloride
• IUPAC Traditional name: (E)-N-(benzenesulfonyl)benzene-1-carbonimidoyl chloride
• Synonyms: N-(Chloro-phenyl-methylene)-benzenesulfonamide

Database IDs

• CAS Number: 4513-25-1
• MDL Number: MFCD00719624
• PubChem SID: 164285239
• PubChem CID: 5938331

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3228898
• LogD (pH = 7.4): 3.3228898
• Log P: 3.3228898
• Molar Refractivity: 72.3457 cm^3
• Polarizability: 28.456902 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%