N-(benzenesulfonyl)-N-(3,4-dichlorophenyl)benzenesulfonamide

• ChemBase ID: 299234
• Molecular Formular: C18H13Cl2NO4S2
• Molecular Mass: 442.33612
• Monoisotopic Mass: 440.96630526
• SMILES: Clc1cc(ccc1Cl)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• Canonical SMILES: Clc1ccc(cc1Cl)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C18H13Cl2NO4S2/c19-17-12-11-14(13-18(17)20)21(26(22,23)15-7-3-1-4-8-15)27(24,25)16-9-5-2-6-10-16/h1-13H
• InChIKey: TXLHLROQRDSFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(benzenesulfonyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(benzenesulfonyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
• Synonyms: N-(3,4-Dichlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD22682849
• PubChem SID: 180684765
• PubChem CID: 73996216

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.267174
• LogD (pH = 7.4): 5.267174
• Log P: 5.267174
• Molar Refractivity: 105.8157 cm^3
• Polarizability: 42.74103 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

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%