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

• ChemBase ID: 699439
• Molecular Formular: C18H22N2O4S
• Molecular Mass: 362.44328
• Monoisotopic Mass: 362.13002819
• SMILES: S(=O)(=O)(Nc1c(OCC2OCCC2)cccc1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(Nc1ccccc1OCC1CCCO1)NCc1ccccc1
• InChI: InChI=1S/C18H22N2O4S/c21-25(22,19-13-15-7-2-1-3-8-15)20-17-10-4-5-11-18(17)24-14-16-9-6-12-23-16/h1-5,7-8,10-11,16,19-20H,6,9,12-14H2
• InChIKey: KYAKREXKQFKFPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.182431
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.0993176
• LogD (pH = 7.4): 2.093105
• Log P: 2.0993977
• Molar Refractivity: 95.7431 cm^3
• Polarizability: 38.447014 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.13
• LOG S: -3.66
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6