N-(5-fluoropyridin-3-yl)-3-[(oxolan-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 321891
• Molecular Formular: C17H18FN3O4S
• Molecular Mass: 379.4059232
• Monoisotopic Mass: 379.10020529
• SMILES: S(=O)(=O)(c1cc(C(=O)Nc2cc(F)cnc2)ccc1)NCC1COCC1
• Canonical SMILES: Fc1cncc(c1)NC(=O)c1cccc(c1)S(=O)(=O)NCC1CCOC1
• InChI: InChI=1S/C17H18FN3O4S/c18-14-7-15(10-19-9-14)21-17(22)13-2-1-3-16(6-13)26(23,24)20-8-12-4-5-25-11-12/h1-3,6-7,9-10,12,20H,4-5,8,11H2,(H,21,22)
• InChIKey: PLFQZHUFIIZXBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-fluoropyridin-3-yl)-3-[(oxolan-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(5-fluoropyridin-3-yl)-3-[(oxolan-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-(5-fluoropyridin-3-yl)-3-{[(tetrahydrofuran-3-ylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.853538
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.8385264
• LogD (pH = 7.4): 0.837287
• Log P: 0.8386419
• Molar Refractivity: 95.2993 cm^3
• Polarizability: 36.268387 Å^3
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.29
• LOG S: -3.07
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 5