5-chloro-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)thiophene-2-sulfonamide

• ChemBase ID: 496431
• Molecular Formular: C23H25ClN2O4S2
• Molecular Mass: 493.0386
• Monoisotopic Mass: 492.09442697
• SMILES: S(=O)(=O)(c1sc(cc1)Cl)N(CC1OCCC1)Cc1ccc(cc1)OCCc1ncccc1
• Canonical SMILES: Clc1ccc(s1)S(=O)(=O)N(Cc1ccc(cc1)OCCc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C23H25ClN2O4S2/c24-22-10-11-23(31-22)32(27,28)26(17-21-5-3-14-29-21)16-18-6-8-20(9-7-18)30-15-12-19-4-1-2-13-25-19/h1-2,4,6-11,13,21H,3,5,12,14-17H2
• InChIKey: YNGHSEQRVLQOTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)thiophene-2-sulfonamide
• IUPAC Traditional name: 5-chloro-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)thiophene-2-sulfonamide
• Synonyms: 5-chloro-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)-2-thiophenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.3658266
• LogD (pH = 7.4): 4.5507736
• Log P: 4.5537834
• Molar Refractivity: 124.2031 cm^3
• Polarizability: 49.848053 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.73
• LOG S: -5.14
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 9