N-benzyl{[2-(2-hydroxyethyl)phenyl]amino}sulfonamide

• ChemBase ID: 834860
• Molecular Formular: C15H18N2O3S
• Molecular Mass: 306.38002
• Monoisotopic Mass: 306.10381345
• SMILES: S(=O)(=O)(Nc1c(CCO)cccc1)NCc1ccccc1
• Canonical SMILES: OCCc1ccccc1NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H18N2O3S/c18-11-10-14-8-4-5-9-15(14)17-21(19,20)16-12-13-6-2-1-3-7-13/h1-9,16-18H,10-12H2
• InChIKey: IYTCORSTLYZXHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl{[2-(2-hydroxyethyl)phenyl]amino}sulfonamide
• IUPAC Traditional name: N-benzyl{[2-(2-hydroxyethyl)phenyl]amino}sulfonamide
• Synonyms: N-benzyl-N'-[2-(2-hydroxyethyl)phenyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.266217
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3597846
• LogD (pH = 7.4): 1.3592681
• Log P: 1.3597912
• Molar Refractivity: 82.5961 cm^3
• Polarizability: 32.81537 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.54
• LOG S: -2.75
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5