N-(3-sulfamoylphenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 677122
• Molecular Formular: C15H18N4O3S2
• Molecular Mass: 366.45842
• Monoisotopic Mass: 366.08203246
• SMILES: S(=O)(=O)(c1cc(NC(=O)N2C(c3nccs3)CCCC2)ccc1)N
• Canonical SMILES: O=C(N1CCCCC1c1nccs1)Nc1cccc(c1)S(=O)(=O)N
• InChI: InChI=1S/C15H18N4O3S2/c16-24(21,22)12-5-3-4-11(10-12)18-15(20)19-8-2-1-6-13(19)14-17-7-9-23-14/h3-5,7,9-10,13H,1-2,6,8H2,(H,18,20)(H2,16,21,22)
• InChIKey: WUICPWHXSFMYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-sulfamoylphenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-sulfamoylphenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-[3-(aminosulfonyl)phenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.0740385
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4493734
• LogD (pH = 7.4): 1.4487321
• Log P: 1.4495484
• Molar Refractivity: 92.5843 cm^3
• Polarizability: 35.720768 Å^3
• Polar Surface Area: 105.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.23
• LOG S: -3.38
• Polar Surface Area: 105.39 Å^2
• Rotatable Bonds: 3