2-[(4-chlorophenyl)methyl]-N-[2-(methylsulfamoyl)ethyl]benzamide

• ChemBase ID: 373411
• Molecular Formular: C17H19ClN2O3S
• Molecular Mass: 366.86236
• Monoisotopic Mass: 366.08049116
• SMILES: S(=O)(=O)(CCNC(=O)c1c(Cc2ccc(Cl)cc2)cccc1)NC
• Canonical SMILES: CNS(=O)(=O)CCNC(=O)c1ccccc1Cc1ccc(cc1)Cl
• InChI: InChI=1S/C17H19ClN2O3S/c1-19-24(22,23)11-10-20-17(21)16-5-3-2-4-14(16)12-13-6-8-15(18)9-7-13/h2-9,19H,10-12H2,1H3,(H,20,21)
• InChIKey: ULYKJJILEXYJQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chlorophenyl)methyl]-N-[2-(methylsulfamoyl)ethyl]benzamide
• IUPAC Traditional name: 2-[(4-chlorophenyl)methyl]-N-[2-(methylsulfamoyl)ethyl]benzamide
• Synonyms: 2-(4-chlorobenzyl)-N-{2-[(methylamino)sulfonyl]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.692165
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4124913
• LogD (pH = 7.4): 2.412472
• Log P: 2.4124918
• Molar Refractivity: 95.6935 cm^3
• Polarizability: 37.246708 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.86
• LOG S: -4.32
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6