1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one

C15H16F3NO4S — CID 151940412

IUPAC1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one
SMILESCS(=O)(=O)CC(c1ccc(OC(F)(F)F)cc1)N1C=CCCC1=O
InChIInChI=1S/C15H16F3NO4S/c1-24(21,22)10-13(19-9-3-2-4-14(19)20)11-5-7-12(8-6-11)23-15(16,17)18/h3,5-9,13H,2,4,10H2,1H3
InChIKeyTUNTWYUJKPFLQQ-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.81
Rot. Bonds5

About 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one

1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one (PubChem CID 151940412) has the molecular formula C15H16F3NO4S and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one
PubChem CID151940412
Molecular FormulaC15H16F3NO4S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC Name1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one
SMILESCS(=O)(=O)CC(c1ccc(OC(F)(F)F)cc1)N1C=CCCC1=O
InChIInChI=1S/C15H16F3NO4S/c1-24(21,22)10-13(19-9-3-2-4-14(19)20)11-5-7-12(8-6-11)23-15(16,17)18/h3,5-9,13H,2,4,10H2,1H3
InChIKeyTUNTWYUJKPFLQQ-UHFFFAOYSA-N
XLogP2.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one (CID 151940412) is 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one is CS(=O)(=O)CC(c1ccc(OC(F)(F)F)cc1)N1C=CCCC1=O.
What is the InChIKey of 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one?
The InChIKey is TUNTWYUJKPFLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO4S/c1-24(21,22)10-13(19-9-3-2-4-14(19)20)11-5-7-12(8-6-11)23-15(16,17)18/h3,5-9,13H,2,4,10H2,1H3.
What are the key properties of 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one?
1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one has a molecular weight of 363.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]ethyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 151940412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).