N-(2-fluoroethyl)-3-{[(3-methoxyphenyl)methyl](methyl)sulfamoyl}benzamide

• ChemBase ID: 499766
• Molecular Formular: C18H21FN2O4S
• Molecular Mass: 380.4337432
• Monoisotopic Mass: 380.12060638
• SMILES: S(=O)(=O)(N(Cc1cc(OC)ccc1)C)c1cc(C(=O)NCCF)ccc1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)N(Cc1cccc(c1)OC)C
• InChI: InChI=1S/C18H21FN2O4S/c1-21(13-14-5-3-7-16(11-14)25-2)26(23,24)17-8-4-6-15(12-17)18(22)20-10-9-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,20,22)
• InChIKey: GSDRXVKGZMGIGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[(3-methoxyphenyl)methyl](methyl)sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-{[(3-methoxyphenyl)methyl](methyl)sulfamoyl}benzamide
• Synonyms: N-(2-fluoroethyl)-3-{[(3-methoxybenzyl)(methyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.975761
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8687366
• LogD (pH = 7.4): 1.8687366
• Log P: 1.8687367
• Molar Refractivity: 97.6604 cm^3
• Polarizability: 37.66567 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.53
• LOG S: -4.13
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7