N-(benzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide

• ChemBase ID: 239255
• Molecular Formular: C19H13ClF3NO4S2
• Molecular Mass: 475.8890296
• Monoisotopic Mass: 474.99266224
• SMILES: N(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)c(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1C(F)(F)F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C19H13ClF3NO4S2/c20-18-12-11-14(13-17(18)19(21,22)23)24(29(25,26)15-7-3-1-4-8-15)30(27,28)16-9-5-2-6-10-16/h1-13H
• InChIKey: ZNCQWCQHIMKWIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(benzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
• IUPAC Traditional name: N-(benzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
• Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(phenylsulfonyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD06660509
• PubChem SID: 164295165
• PubChem CID: 4868352

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.5409775
• LogD (pH = 7.4): 5.5409775
• Log P: 5.5409775
• Molar Refractivity: 106.9846 cm^3
• Polarizability: 42.002342 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.839

Product Information

• Purity: 95%