N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide

• ChemBase ID: 823235
• Molecular Formular: C28H30FNO5S
• Molecular Mass: 511.6049032
• Monoisotopic Mass: 511.18287229
• SMILES: S(=O)(=O)(N(CC1OCCC1)Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)c1c(F)cccc1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(S(=O)(=O)c1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C28H30FNO5S/c1-33-27-15-20(12-13-26(27)35-24-16-21-7-2-3-8-22(21)17-24)18-30(19-23-9-6-14-34-23)36(31,32)28-11-5-4-10-25(28)29/h2-5,7-8,10-13,15,23-24H,6,9,14,16-19H2,1H3
• InChIKey: SKGLYWSJADUTGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-2-fluoro-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.1098404
• LogD (pH = 7.4): 5.1098404
• Log P: 5.1098404
• Molar Refractivity: 136.3668 cm^3
• Polarizability: 53.307995 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.54
• LOG S: -5.26
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 7