1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine

C11H13F4N3O2S — CID 103299442

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1ncccc1F)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H13F4N3O2S/c12-9-2-1-3-16-10(9)21(19,20)18-6-4-17(5-7-18)8-11(13,14)15/h1-3H,4-8H2
InChIKeyWZUWEERJEKZSRO-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.09
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 103299442) has the molecular formula C11H13F4N3O2S and a molecular weight of 327.30 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID103299442
Molecular FormulaC11H13F4N3O2S
Molecular Weight327.30 g/mol
Exact Mass327.07
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1ncccc1F)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H13F4N3O2S/c12-9-2-1-3-16-10(9)21(19,20)18-6-4-17(5-7-18)8-11(13,14)15/h1-3H,4-8H2
InChIKeyWZUWEERJEKZSRO-UHFFFAOYSA-N
XLogP1.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 103299442) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine is O=S(=O)(c1ncccc1F)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is WZUWEERJEKZSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O2S/c12-9-2-1-3-16-10(9)21(19,20)18-6-4-17(5-7-18)8-11(13,14)15/h1-3H,4-8H2.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 327.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 103299442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).