5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one

C20H17F2NO4S — CID 118021857

IUPAC5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C20H17F2NO4S/c1-23-11-14(4-8-20(23)24)16-9-13(12-28(2,25)26)3-6-18(16)27-19-7-5-15(21)10-17(19)22/h3-11H,12H2,1-2H3
InChIKeySKPNSALTHYPJCZ-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.67
Rot. Bonds5

About 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one

5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one (PubChem CID 118021857) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one
PubChem CID118021857
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C20H17F2NO4S/c1-23-11-14(4-8-20(23)24)16-9-13(12-28(2,25)26)3-6-18(16)27-19-7-5-15(21)10-17(19)22/h3-11H,12H2,1-2H3
InChIKeySKPNSALTHYPJCZ-UHFFFAOYSA-N
XLogP3.67
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,4-difluorophenoxy)-5-(ethylsulfonyl)phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one
CID 90027770
5-[2-(2,4-Difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-4-ethoxy-1-methylpyridin-2-one
CID 90028262
4-Ethylsulfonyl-12-fluoro-23-methyl-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137762
12-Chloro-23-methyl-4-(methylsulfonylmethyl)-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137892
4-Ethylsulfonyl-10,12-difluoro-23-methyl-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118138006
US10023592, Example 276
CID 118020896
US10023592, Example 418
CID 118021286
US10023592, Example 437
CID 118021402
US10023592, Example 411
CID 118021528
US10023592, Example 121
CID 118021893
US10023592, Example 454
CID 118021960
US10023592, Example 292
CID 118022018

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one (CID 118021857) is 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one is Cn1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one?
The InChIKey is SKPNSALTHYPJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c1-23-11-14(4-8-20(23)24)16-9-13(12-28(2,25)26)3-6-18(16)27-19-7-5-15(21)10-17(19)22/h3-11H,12H2,1-2H3.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one?
5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one has a molecular weight of 405.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118021857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).