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

C21H20F2N2O5S — CID 72550116

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OC)c1
InChIInChI=1S/C21H20F2N2O5S/c1-4-31(27,28)24-14-6-8-18(30-19-7-5-13(22)9-17(19)23)15(10-14)16-12-25(2)21(26)11-20(16)29-3/h5-12,24H,4H2,1-3H3
InChIKeyVQLUIPPOGYKKSA-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.89
Rot. Bonds7

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

N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (PubChem CID 72550116) has the molecular formula C21H20F2N2O5S and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
PubChem CID72550116
Molecular FormulaC21H20F2N2O5S
Molecular Weight450.46 g/mol
Exact Mass450.11
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OC)c1
InChIInChI=1S/C21H20F2N2O5S/c1-4-31(27,28)24-14-6-8-18(30-19-7-5-13(22)9-17(19)23)15(10-14)16-12-25(2)21(26)11-20(16)29-3/h5-12,24H,4H2,1-3H3
InChIKeyVQLUIPPOGYKKSA-UHFFFAOYSA-N
XLogP3.89
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (CID 72550116) is N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OC)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The InChIKey is VQLUIPPOGYKKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O5S/c1-4-31(27,28)24-14-6-8-18(30-19-7-5-13(22)9-17(19)23)15(10-14)16-12-25(2)21(26)11-20(16)29-3/h5-12,24H,4H2,1-3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide has a molecular weight of 450.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 72550116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).