5-chloro-2-methoxy-N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzene-1-sulfonamide

• ChemBase ID: 566076
• Molecular Formular: C27H27ClN2O5S2
• Molecular Mass: 559.09668
• Monoisotopic Mass: 558.10499165
• SMILES: S(=O)(=O)(c1cc(ccc1OC)Cl)N(Cc1ncccc1)Cc1cc(c(cc1)OCCc1sccc1)OC
• Canonical SMILES: COc1cc(ccc1OCCc1cccs1)CN(S(=O)(=O)c1cc(Cl)ccc1OC)Cc1ccccn1
• InChI: InChI=1S/C27H27ClN2O5S2/c1-33-25-11-9-21(28)17-27(25)37(31,32)30(19-22-6-3-4-13-29-22)18-20-8-10-24(26(16-20)34-2)35-14-12-23-7-5-15-36-23/h3-11,13,15-17H,12,14,18-19H2,1-2H3
• InChIKey: CLGYBYIOJAIRLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxy-N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzene-1-sulfonamide
• IUPAC Traditional name: 5-chloro-2-methoxy-N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
• Synonyms: 5-chloro-2-methoxy-N-{3-methoxy-4-[2-(2-thienyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.3797364
• LogD (pH = 7.4): 5.3962064
• Log P: 5.396421
• Molar Refractivity: 145.1177 cm^3
• Polarizability: 57.03426 Å^3
• Polar Surface Area: 77.96 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 5.02
• LOG S: -5.16
• Polar Surface Area: 77.96 Å^2
• Rotatable Bonds: 9