3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one

C11H14FN3O3S — CID 55217118

IUPAC3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H14FN3O3S/c1-2-10-11(16)14-3-4-15(10)19(17,18)9-5-8(12)6-13-7-9/h5-7,10H,2-4H2,1H3,(H,14,16)
InChIKeyKORTVVITHDANAK-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.12
Rot. Bonds3

About 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one

3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one (PubChem CID 55217118) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one
PubChem CID55217118
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H14FN3O3S/c1-2-10-11(16)14-3-4-15(10)19(17,18)9-5-8(12)6-13-7-9/h5-7,10H,2-4H2,1H3,(H,14,16)
InChIKeyKORTVVITHDANAK-UHFFFAOYSA-N
XLogP0.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one (CID 55217118) is 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one?
The InChIKey is KORTVVITHDANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-2-10-11(16)14-3-4-15(10)19(17,18)9-5-8(12)6-13-7-9/h5-7,10H,2-4H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one?
3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one has a molecular weight of 287.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-2-one is sourced from PubChem (CID 55217118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).