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2,4-difluoro-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzene-1-sulfonamide

ChemBase ID: 340316
Molecular Formular: C25H26F2N2O4S
Molecular Mass: 488.5467464
Monoisotopic Mass: 488.15813476
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c(cc(cc1)F)F)N(CC1OCCC1)Cc1ccc(cc1)OCCc1ncccc1
Canonical SMILES:
Fc1ccc(c(c1)F)S(=O)(=O)N(Cc1ccc(cc1)OCCc1ccccn1)CC1CCCO1
InChI:
InChI=1S/C25H26F2N2O4S/c26-20-8-11-25(24(27)16-20)34(30,31)29(18-23-5-3-14-32-23)17-19-6-9-22(10-7-19)33-15-12-21-4-1-2-13-28-21/h1-2,4,6-11,13,16,23H,3,5,12,14-15,17-18H2
InChIKey:
NOGZUZZMQGRTAZ-UHFFFAOYSA-N

Cite this record

CBID:340316 http://www.chembase.cn/molecule-340316.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-difluoro-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzene-1-sulfonamide
IUPAC Traditional name
2,4-difluoro-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzenesulfonamide
Synonyms
2,4-difluoro-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.9347517  LogD (pH = 7.4) 4.119699 
Log P 4.122709  Molar Refractivity 124.4055 cm3
Polarizability 48.570538 Å3 Polar Surface Area 68.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.56  LOG S -4.98 
Polar Surface Area 68.73 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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