4-(pyrimidin-2-yloxy)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

• ChemBase ID: 753222
• Molecular Formular: C16H19N5O4S
• Molecular Mass: 377.41816
• Monoisotopic Mass: 377.11577511
• SMILES: S(=O)(=O)(c1ccc(NC(=O)N2CCC(Oc3ncccn3)CC2)cc1)N
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ncccn1)Nc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C16H19N5O4S/c17-26(23,24)14-4-2-12(3-5-14)20-16(22)21-10-6-13(7-11-21)25-15-18-8-1-9-19-15/h1-5,8-9,13H,6-7,10-11H2,(H,20,22)(H2,17,23,24)
• InChIKey: WOHNECGDTMNTQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrimidin-2-yloxy)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
• IUPAC Traditional name: 4-(pyrimidin-2-yloxy)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
• Synonyms: N-[4-(aminosulfonyl)phenyl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.24682
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.33826324
• LogD (pH = 7.4): 0.33773303
• Log P: 0.3382804
• Molar Refractivity: 96.1435 cm^3
• Polarizability: 36.846306 Å^3
• Polar Surface Area: 127.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.21
• LOG S: -3.44
• Polar Surface Area: 127.51 Å^2
• Rotatable Bonds: 4