N-[(4-fluorophenyl)methyl]-N-methyl-4-sulfamoylbenzamide

• ChemBase ID: 398968
• Molecular Formular: C15H15FN2O3S
• Molecular Mass: 322.3546032
• Monoisotopic Mass: 322.07874157
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2ccc(F)cc2)C)cc1)N
• Canonical SMILES: Fc1ccc(cc1)CN(C(=O)c1ccc(cc1)S(=O)(=O)N)C
• InChI: InChI=1S/C15H15FN2O3S/c1-18(10-11-2-6-13(16)7-3-11)15(19)12-4-8-14(9-5-12)22(17,20)21/h2-9H,10H2,1H3,(H2,17,20,21)
• InChIKey: IXAOBPKLBDGDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-methyl-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-N-methyl-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-(4-fluorobenzyl)-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 9.943625
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7444302
• LogD (pH = 7.4): 1.7433454
• Log P: 1.744444
• Molar Refractivity: 81.9167 cm^3
• Polarizability: 31.433294 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -3.28