4-[2-(pyridin-2-yl)piperidine-1-carbonyl]benzene-1-sulfonamide

• ChemBase ID: 670113
• Molecular Formular: C17H19N3O3S
• Molecular Mass: 345.41606
• Monoisotopic Mass: 345.11471248
• SMILES: S(=O)(=O)(c1ccc(C(=O)N2C(c3ncccc3)CCCC2)cc1)N
• Canonical SMILES: O=C(N1CCCCC1c1ccccn1)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C17H19N3O3S/c18-24(22,23)14-9-7-13(8-10-14)17(21)20-12-4-2-6-16(20)15-5-1-3-11-19-15/h1,3,5,7-11,16H,2,4,6,12H2,(H2,18,22,23)
• InChIKey: POIOCAYOWVMXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyridin-2-yl)piperidine-1-carbonyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-[2-(pyridin-2-yl)piperidine-1-carbonyl]benzenesulfonamide
• Synonyms: 4-[(2-pyridin-2-ylpiperidin-1-yl)carbonyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.940878
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5135868
• LogD (pH = 7.4): 1.5265756
• Log P: 1.527864
• Molar Refractivity: 90.9085 cm^3
• Polarizability: 35.626877 Å^3
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.07
• LOG S: -1.79
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 3