N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 441695
• Molecular Formular: C15H15N5O3S
• Molecular Mass: 345.3763
• Monoisotopic Mass: 345.08956037
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCCc1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C15H15N5O3S/c16-24(22,23)12-4-2-11(3-5-12)6-8-17-14(21)13-10-20-9-1-7-18-15(20)19-13/h1-5,7,9-10H,6,8H2,(H,17,21)(H2,16,22,23)
• InChIKey: ORYYFGQPOUKGMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.223787
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.113392584
• LogD (pH = 7.4): -0.113950305
• Log P: -0.113373324
• Molar Refractivity: 89.9182 cm^3
• Polarizability: 33.870888 Å^3
• Polar Surface Area: 119.45 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: -0.42
• LOG S: -2.67
• Polar Surface Area: 119.45 Å^2
• Rotatable Bonds: 5