5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one

C11H14F3N3O3S — CID 43629454

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c[nH]1
InChIInChI=1S/C11H14F3N3O3S/c12-11(13,14)8-16-3-5-17(6-4-16)21(19,20)9-1-2-10(18)15-7-9/h1-2,7H,3-6,8H2,(H,15,18)
InChIKeyGRIVISOWZGQWGG-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.24
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 43629454) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID43629454
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c[nH]1
InChIInChI=1S/C11H14F3N3O3S/c12-11(13,14)8-16-3-5-17(6-4-16)21(19,20)9-1-2-10(18)15-7-9/h1-2,7H,3-6,8H2,(H,15,18)
InChIKeyGRIVISOWZGQWGG-UHFFFAOYSA-N
XLogP0.24
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one (CID 43629454) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c[nH]1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is GRIVISOWZGQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c12-11(13,14)8-16-3-5-17(6-4-16)21(19,20)9-1-2-10(18)15-7-9/h1-2,7H,3-6,8H2,(H,15,18).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 325.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).