N-benzyl[(2-oxopiperidin-3-yl)amino]sulfonamide

• ChemBase ID: 580312
• Molecular Formular: C12H17N3O3S
• Molecular Mass: 283.34668
• Monoisotopic Mass: 283.09906242
• SMILES: S(=O)(=O)(NC1C(=O)NCCC1)NCc1ccccc1
• Canonical SMILES: O=C1NCCCC1NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C12H17N3O3S/c16-12-11(7-4-8-13-12)15-19(17,18)14-9-10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,13,16)
• InChIKey: SKPBZKSQCYEHMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(2-oxopiperidin-3-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(2-oxopiperidin-3-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(2-oxopiperidin-3-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.772243
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.3070287
• LogD (pH = 7.4): -0.30863723
• Log P: -0.30700815
• Molar Refractivity: 71.3374 cm^3
• Polarizability: 28.731415 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.89
• LOG S: -1.82
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 3