2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide

• ChemBase ID: 744194
• Molecular Formular: C13H19FN2O4S
• Molecular Mass: 318.3643632
• Monoisotopic Mass: 318.10495632
• SMILES: S(=O)(=O)(c1cc(C(=O)NCC(OCCC)C)c(cc1)F)N
• Canonical SMILES: CCCOC(CNC(=O)c1cc(ccc1F)S(=O)(=O)N)C
• InChI: InChI=1S/C13H19FN2O4S/c1-3-6-20-9(2)8-16-13(17)11-7-10(21(15,18)19)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)(H2,15,18,19)
• InChIKey: MXGWVUNQMOWVIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-(2-propoxypropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.55145
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0451906
• LogD (pH = 7.4): 1.0425205
• Log P: 1.0452248
• Molar Refractivity: 77.1423 cm^3
• Polarizability: 29.992281 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.95
• LOG S: -2.33
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 7