N-(2-fluoroethyl)-3-{[2-(pyrazin-2-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 677418
• Molecular Formular: C15H17FN4O3S
• Molecular Mass: 352.3838832
• Monoisotopic Mass: 352.10053964
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCF)ccc1)NCCc1nccnc1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)NCCc1cnccn1
• InChI: InChI=1S/C15H17FN4O3S/c16-5-7-19-15(21)12-2-1-3-14(10-12)24(22,23)20-6-4-13-11-17-8-9-18-13/h1-3,8-11,20H,4-7H2,(H,19,21)
• InChIKey: KMHFDKZONDMLNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[2-(pyrazin-2-yl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-{[2-(pyrazin-2-yl)ethyl]sulfamoyl}benzamide
• Synonyms: N-(2-fluoroethyl)-3-{[(2-pyrazin-2-ylethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.882906
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.31414875
• LogD (pH = 7.4): -0.31539166
• Log P: -0.31412834
• Molar Refractivity: 86.1639 cm^3
• Polarizability: 33.42083 Å^3
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.05
• LOG S: -3.12
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 7