2-fluoro-N-[1-(pyrazin-2-yl)propan-2-yl]-5-sulfamoylbenzamide

• ChemBase ID: 592276
• Molecular Formular: C14H15FN4O3S
• Molecular Mass: 338.3573032
• Monoisotopic Mass: 338.08488958
• SMILES: S(=O)(=O)(c1cc(C(=O)NC(Cc2nccnc2)C)c(cc1)F)N
• Canonical SMILES: CC(NC(=O)c1cc(ccc1F)S(=O)(=O)N)Cc1cnccn1
• InChI: InChI=1S/C14H15FN4O3S/c1-9(6-10-8-17-4-5-18-10)19-14(20)12-7-11(23(16,21)22)2-3-13(12)15/h2-5,7-9H,6H2,1H3,(H,19,20)(H2,16,21,22)
• InChIKey: VZMDKCHYDQPATD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-[1-(pyrazin-2-yl)propan-2-yl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-[1-(pyrazin-2-yl)propan-2-yl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-[1-methyl-2-(2-pyrazinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551504
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.17955573
• LogD (pH = 7.4): -0.18222117
• Log P: -0.17951721
• Molar Refractivity: 81.3022 cm^3
• Polarizability: 31.572699 Å^3
• Polar Surface Area: 115.04 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: -0.61
• LOG S: -2.46
• Polar Surface Area: 115.04 Å^2
• Rotatable Bonds: 5