N-[2-(4-fluorobenzenesulfonyl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 609291
• Molecular Formular: C14H12FN5O3S
• Molecular Mass: 349.3401832
• Monoisotopic Mass: 349.06448849
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCCS(=O)(=O)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)S(=O)(=O)CCNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C14H12FN5O3S/c15-11-1-3-12(4-2-11)24(22,23)8-6-16-14(21)10-5-7-20-13(9-10)17-18-19-20/h1-5,7,9H,6,8H2,(H,16,21)
• InChIKey: AXAKIVGGBQJALA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorobenzenesulfonyl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(4-fluorobenzenesulfonyl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-{2-[(4-fluorophenyl)sulfonyl]ethyl}tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.446817
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.8141694
• LogD (pH = 7.4): 0.81416917
• Log P: 0.8141695
• Molar Refractivity: 95.9383 cm^3
• Polarizability: 31.651028 Å^3
• Polar Surface Area: 106.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.09
• LOG S: -3.13
• Polar Surface Area: 106.32 Å^2
• Rotatable Bonds: 5