2-fluoro-N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-5-sulfamoylbenzamide

• ChemBase ID: 462294
• Molecular Formular: C16H15FN4O3S
• Molecular Mass: 362.3787032
• Monoisotopic Mass: 362.08488958
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCc2n3c(nc2)cccc3)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCCc1cnc2n1cccc2
• InChI: InChI=1S/C16H15FN4O3S/c17-14-5-4-12(25(18,23)24)9-13(14)16(22)19-7-6-11-10-20-15-3-1-2-8-21(11)15/h1-5,8-10H,6-7H2,(H,19,22)(H2,18,23,24)
• InChIKey: DBXPNTRQRXSNQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551927
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.42980418
• LogD (pH = 7.4): 0.24856149
• Log P: 0.28703249
• Molar Refractivity: 91.6413 cm^3
• Polarizability: 34.44453 Å^3
• Polar Surface Area: 106.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.68
• LOG S: -2.42
• Polar Surface Area: 106.56 Å^2
• Rotatable Bonds: 5