5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one

C20H18F2N2O4S — CID 118028183

IUPAC5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)cc(Oc3ccc(F)cc3F)n2)cn(C)c1=O
InChIInChI=1S/C20H18F2N2O4S/c1-12-6-14(10-24(2)20(12)25)17-7-13(11-29(3,26)27)8-19(23-17)28-18-5-4-15(21)9-16(18)22/h4-10H,11H2,1-3H3
InChIKeyRWGMLUWHWQHUSI-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.37
Rot. Bonds5

About 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one

5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one (PubChem CID 118028183) has the molecular formula C20H18F2N2O4S and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one
PubChem CID118028183
Molecular FormulaC20H18F2N2O4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Name5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(CS(C)(=O)=O)cc(Oc3ccc(F)cc3F)n2)cn(C)c1=O
InChIInChI=1S/C20H18F2N2O4S/c1-12-6-14(10-24(2)20(12)25)17-7-13(11-29(3,26)27)8-19(23-17)28-18-5-4-15(21)9-16(18)22/h4-10H,11H2,1-3H3
InChIKeyRWGMLUWHWQHUSI-UHFFFAOYSA-N
XLogP3.37
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one (CID 118028183) is 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(CS(C)(=O)=O)cc(Oc3ccc(F)cc3F)n2)cn(C)c1=O.
What is the InChIKey of 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one?
The InChIKey is RWGMLUWHWQHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S/c1-12-6-14(10-24(2)20(12)25)17-7-13(11-29(3,26)27)8-19(23-17)28-18-5-4-15(21)9-16(18)22/h4-10H,11H2,1-3H3.
What are the key properties of 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one?
5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one has a molecular weight of 420.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,4-difluorophenoxy)-4-(methylsulfonylmethyl)-2-pyridinyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 118028183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).