N-ethyl-3-{[3-(2-fluorophenyl)propyl]sulfamoyl}-N-methylbenzamide

• ChemBase ID: 564504
• Molecular Formular: C19H23FN2O3S
• Molecular Mass: 378.4609232
• Monoisotopic Mass: 378.14134183
• SMILES: S(=O)(=O)(c1cc(C(=O)N(CC)C)ccc1)NCCCc1c(F)cccc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)S(=O)(=O)NCCCc1ccccc1F)C
• InChI: InChI=1S/C19H23FN2O3S/c1-3-22(2)19(23)16-9-6-11-17(14-16)26(24,25)21-13-7-10-15-8-4-5-12-18(15)20/h4-6,8-9,11-12,14,21H,3,7,10,13H2,1-2H3
• InChIKey: OZSLGQZFQIJEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-{[3-(2-fluorophenyl)propyl]sulfamoyl}-N-methylbenzamide
• IUPAC Traditional name: N-ethyl-3-{[3-(2-fluorophenyl)propyl]sulfamoyl}-N-methylbenzamide
• Synonyms: N-ethyl-3-({[3-(2-fluorophenyl)propyl]amino}sulfonyl)-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 100.918 cm^3
• Polarizability: 38.761105 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 9.881973
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.058142
• LogD (pH = 7.4): 3.056892
• Log P: 3.058158

供应商提供(Chembridge)

• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 1
• Log P: 2.8
• LOG S: -4.35