N-cyclopentyl-3-{[(5-methylpyrazin-2-yl)methyl]sulfamoyl}benzamide

• ChemBase ID: 712071
• Molecular Formular: C18H22N4O3S
• Molecular Mass: 374.45728
• Monoisotopic Mass: 374.14126158
• SMILES: S(=O)(=O)(NCc1ncc(nc1)C)c1cc(C(=O)NC2CCCC2)ccc1
• Canonical SMILES: Cc1cnc(cn1)CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCCC1
• InChI: InChI=1S/C18H22N4O3S/c1-13-10-20-16(11-19-13)12-21-26(24,25)17-8-4-5-14(9-17)18(23)22-15-6-2-3-7-15/h4-5,8-11,15,21H,2-3,6-7,12H2,1H3,(H,22,23)
• InChIKey: UQONWOKBUXMTRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[(5-methylpyrazin-2-yl)methyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{[(5-methylpyrazin-2-yl)methyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-({[(5-methylpyrazin-2-yl)methyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• H Donor: 2
• LogD (pH = 5.5): 0.7339095
• LogD (pH = 7.4): 0.7326226
• Log P: 0.7339412
• Molar Refractivity: 97.869 cm^3
• Polarizability: 38.354145 Å^3
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 9.86432
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 2
• Log P: 1.25
• LOG S: -3.0
• Polar Surface Area: 101.05 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5