N-cyclopropyl-N-[1-(pyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide

• ChemBase ID: 834199
• Molecular Formular: C18H22N4O2S
• Molecular Mass: 358.45788
• Monoisotopic Mass: 358.14634696
• SMILES: S(=O)(=O)(N(C1CC1)C1CCN(c2ncncc2)CC1)c1ccccc1
• Canonical SMILES: O=S(=O)(N(C1CC1)C1CCN(CC1)c1ccncn1)c1ccccc1
• InChI: InChI=1S/C18H22N4O2S/c23-25(24,17-4-2-1-3-5-17)22(15-6-7-15)16-9-12-21(13-10-16)18-8-11-19-14-20-18/h1-5,8,11,14-16H,6-7,9-10,12-13H2
• InChIKey: WOKMWIAJWJCRNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[1-(pyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide
• IUPAC Traditional name: N-cyclopropyl-N-[1-(pyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide
• Synonyms: N-cyclopropyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8880386
• LogD (pH = 7.4): 2.0779588
• Log P: 2.0810668
• Molar Refractivity: 98.1479 cm^3
• Polarizability: 37.826305 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.11
• LOG S: -3.88
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 4