2-fluoro-N-[1-(4-methoxyphenyl)propyl]-5-sulfamoylbenzamide

• ChemBase ID: 354669
• Molecular Formular: C17H19FN2O4S
• Molecular Mass: 366.4071632
• Monoisotopic Mass: 366.10495632
• SMILES: S(=O)(=O)(c1cc(C(=O)NC(c2ccc(cc2)OC)CC)c(cc1)F)N
• Canonical SMILES: CCC(c1ccc(cc1)OC)NC(=O)c1cc(ccc1F)S(=O)(=O)N
• InChI: InChI=1S/C17H19FN2O4S/c1-3-16(11-4-6-12(24-2)7-5-11)20-17(21)14-10-13(25(19,22)23)8-9-15(14)18/h4-10,16H,3H2,1-2H3,(H,20,21)(H2,19,22,23)
• InChIKey: HCPFNVXKSJVAPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-[1-(4-methoxyphenyl)propyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-[1-(4-methoxyphenyl)propyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-[1-(4-methoxyphenyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551131
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.30216
• LogD (pH = 7.4): 2.2994878
• Log P: 2.302194
• Molar Refractivity: 92.426 cm^3
• Polarizability: 35.81025 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.41
• LOG S: -3.93
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6