N-benzyl-4-hydroxypiperidine-1-sulfonamide

• ChemBase ID: 328827
• Molecular Formular: C12H18N2O3S
• Molecular Mass: 270.34792
• Monoisotopic Mass: 270.10381345
• SMILES: S(=O)(=O)(N1CCC(CC1)O)NCc1ccccc1
• Canonical SMILES: OC1CCN(CC1)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C12H18N2O3S/c15-12-6-8-14(9-7-12)18(16,17)13-10-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2
• InChIKey: HWPMSTQPPRYHFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-hydroxypiperidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-4-hydroxypiperidine-1-sulfonamide
• Synonyms: N-benzyl-4-hydroxypiperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.99805
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.2777447
• LogD (pH = 7.4): -0.27784008
• Log P: -0.277743
• Molar Refractivity: 69.8686 cm^3
• Polarizability: 28.12216 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.07
• LOG S: -2.42
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2