N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

C24H26F2N2O6S — CID 90019789

IUPACN-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(C)(C)O)c1
InChIInChI=1S/C24H26F2N2O6S/c1-5-35(31,32)27-16-7-9-20(34-21-8-6-15(25)10-19(21)26)17(11-16)18-13-28(4)23(29)12-22(18)33-14-24(2,3)30/h6-13,27,30H,5,14H2,1-4H3
InChIKeyGFXRLPSLUXFFQT-UHFFFAOYSA-N
MW508.54 g/mol
LogP4.03
Rot. Bonds9

About N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (PubChem CID 90019789) has the molecular formula C24H26F2N2O6S and a molecular weight of 508.54 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
PubChem CID90019789
Molecular FormulaC24H26F2N2O6S
Molecular Weight508.54 g/mol
Exact Mass508.15
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(C)(C)O)c1
InChIInChI=1S/C24H26F2N2O6S/c1-5-35(31,32)27-16-7-9-20(34-21-8-6-15(25)10-19(21)26)17(11-16)18-13-28(4)23(29)12-22(18)33-14-24(2,3)30/h6-13,27,30H,5,14H2,1-4H3
InChIKeyGFXRLPSLUXFFQT-UHFFFAOYSA-N
XLogP4.03
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (CID 90019789) is N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(C)(C)O)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The InChIKey is GFXRLPSLUXFFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O6S/c1-5-35(31,32)27-16-7-9-20(34-21-8-6-15(25)10-19(21)26)17(11-16)18-13-28(4)23(29)12-22(18)33-14-24(2,3)30/h6-13,27,30H,5,14H2,1-4H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide has a molecular weight of 508.54 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-[4-(2-hydroxy-2-methylpropoxy)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 90019789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).