N-{2-[(2-fluoro-5-sulfamoylphenyl)formamido]ethyl}pyridine-3-carboxamide

• ChemBase ID: 400515
• Molecular Formular: C15H15FN4O4S
• Molecular Mass: 366.3674032
• Monoisotopic Mass: 366.0798042
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCNC(=O)c2cnccc2)c(cc1)F)N
• Canonical SMILES: O=C(c1cccnc1)NCCNC(=O)c1cc(ccc1F)S(=O)(=O)N
• InChI: InChI=1S/C15H15FN4O4S/c16-13-4-3-11(25(17,23)24)8-12(13)15(22)20-7-6-19-14(21)10-2-1-5-18-9-10/h1-5,8-9H,6-7H2,(H,19,21)(H,20,22)(H2,17,23,24)
• InChIKey: OFPQJCSTSVAOGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-fluoro-5-sulfamoylphenyl)formamido]ethyl}pyridine-3-carboxamide
• IUPAC Traditional name: N-{2-[(2-fluoro-5-sulfamoylphenyl)formamido]ethyl}pyridine-3-carboxamide
• Synonyms: N-(2-{[5-(aminosulfonyl)-2-fluorobenzoyl]amino}ethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.5515375
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.5504759
• LogD (pH = 7.4): -0.5481087
• Log P: -0.5453403
• Molar Refractivity: 88.3146 cm^3
• Polarizability: 33.518616 Å^3
• Polar Surface Area: 131.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.38
• LOG S: -2.86
• Polar Surface Area: 131.25 Å^2
• Rotatable Bonds: 6