1-[2-(benzenesulfonyl)ethyl]imidazolidin-2-one

• ChemBase ID: 686695
• Molecular Formular: C11H14N2O3S
• Molecular Mass: 254.30546
• Monoisotopic Mass: 254.07251332
• SMILES: S(=O)(=O)(CCN1C(=O)NCC1)c1ccccc1
• Canonical SMILES: O=C1NCCN1CCS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C11H14N2O3S/c14-11-12-6-7-13(11)8-9-17(15,16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
• InChIKey: VFAXILLHEYHLON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(benzenesulfonyl)ethyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[2-(benzenesulfonyl)ethyl]imidazolidin-2-one
• Synonyms: 1-[2-(phenylsulfonyl)ethyl]imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.17492
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.070112
• LogD (pH = 7.4): -0.07011262
• Log P: -0.070111975
• Molar Refractivity: 63.4597 cm^3
• Polarizability: 25.33715 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.4
• LOG S: -1.4
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4