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

• ChemBase ID: 521357
• Molecular Formular: C16H20N4O4S
• Molecular Mass: 364.4194
• Monoisotopic Mass: 364.12052614
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCOC)ccc1)NCCc1nccnc1
• Canonical SMILES: COCCNC(=O)c1cccc(c1)S(=O)(=O)NCCc1cnccn1
• InChI: InChI=1S/C16H20N4O4S/c1-24-10-9-19-16(21)13-3-2-4-15(11-13)25(22,23)20-6-5-14-12-17-7-8-18-14/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,19,21)
• InChIKey: OBTQLYOJIHYZLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.882925
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.562114
• LogD (pH = 7.4): -0.5633569
• Log P: -0.5620936
• Molar Refractivity: 92.6072 cm^3
• Polarizability: 36.20759 Å^3
• Polar Surface Area: 110.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.28
• LOG S: -2.93
• Polar Surface Area: 110.28 Å^2
• Rotatable Bonds: 8