1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one

C16H16F3NO4S — CID 118021347

IUPAC1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
SMILESCc1cc(-c2cc(OCC(F)(F)F)cc(S(C)(=O)=O)c2)cn(C)c1=O
InChIInChI=1S/C16H16F3NO4S/c1-10-4-12(8-20(2)15(10)21)11-5-13(24-9-16(17,18)19)7-14(6-11)25(3,22)23/h4-8H,9H2,1-3H3
InChIKeySOERVUPXXNBLAF-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.71
Rot. Bonds4

About 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one

1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one (PubChem CID 118021347) has the molecular formula C16H16F3NO4S and a molecular weight of 375.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
PubChem CID118021347
Molecular FormulaC16H16F3NO4S
Molecular Weight375.37 g/mol
Exact Mass375.08
IUPAC Name1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
SMILESCc1cc(-c2cc(OCC(F)(F)F)cc(S(C)(=O)=O)c2)cn(C)c1=O
InChIInChI=1S/C16H16F3NO4S/c1-10-4-12(8-20(2)15(10)21)11-5-13(24-9-16(17,18)19)7-14(6-11)25(3,22)23/h4-8H,9H2,1-3H3
InChIKeySOERVUPXXNBLAF-UHFFFAOYSA-N
XLogP2.71
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-but-2-ynoxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022597
1,3-dimethyl-5-[3-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
CID 118021945
3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 162401320
5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 118022724
1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one
CID 146534965
5-[4-amino-3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]-1,3-dimethylpyridin-2-one
CID 126572486
5-[4-amino-3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]-1,3-dimethylpyridin-2-one;ethane
CID 145256342
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
CID 167428794
5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one
CID 167569314
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
5-[5-(1,1-difluorobutyl)-2-(methylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 148812031

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one (CID 118021347) is 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one is Cc1cc(-c2cc(OCC(F)(F)F)cc(S(C)(=O)=O)c2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
The InChIKey is SOERVUPXXNBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4S/c1-10-4-12(8-20(2)15(10)21)11-5-13(24-9-16(17,18)19)7-14(6-11)25(3,22)23/h4-8H,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one has a molecular weight of 375.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 118021347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).