3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one

C11H10ClF3N2O3S — CID 114490490

IUPAC3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C11H10ClF3N2O3S/c12-9-5-8(6-16-10(9)18)21(19,20)17-3-1-7(2-4-17)11(13,14)15/h1,5-6H,2-4H2,(H,16,18)
InChIKeyZYFPXDJLVJWRQT-UHFFFAOYSA-N
MW342.73 g/mol
LogP1.91
Rot. Bonds2

About 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one

3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one (PubChem CID 114490490) has the molecular formula C11H10ClF3N2O3S and a molecular weight of 342.73 g/mol. Its IUPAC name is 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
PubChem CID114490490
Molecular FormulaC11H10ClF3N2O3S
Molecular Weight342.73 g/mol
Exact Mass342.01
IUPAC Name3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C11H10ClF3N2O3S/c12-9-5-8(6-16-10(9)18)21(19,20)17-3-1-7(2-4-17)11(13,14)15/h1,5-6H,2-4H2,(H,16,18)
InChIKeyZYFPXDJLVJWRQT-UHFFFAOYSA-N
XLogP1.91
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501
1-(benzenesulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770434
3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64608278
3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64608490
1-(chloromethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490511
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608428
3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
2-amino-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenol
CID 114489353
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one (CID 114490490) is 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one is O=c1[nH]cc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one?
The InChIKey is ZYFPXDJLVJWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3S/c12-9-5-8(6-16-10(9)18)21(19,20)17-3-1-7(2-4-17)11(13,14)15/h1,5-6H,2-4H2,(H,16,18).
What are the key properties of 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one?
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one has a molecular weight of 342.73 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one is sourced from PubChem (CID 114490490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).