1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

C17H20FN3O2S — CID 2810612

IUPAC1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c18-15-4-6-16(7-5-15)24(22,23)14-13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8H,9-14H2
InChIKeyMKFMLVWKOZGXFL-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine

1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (PubChem CID 2810612) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
PubChem CID2810612
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
SMILESO=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c18-15-4-6-16(7-5-15)24(22,23)14-13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8H,9-14H2
InChIKeyMKFMLVWKOZGXFL-UHFFFAOYSA-N
XLogP1.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine (CID 2810612) is 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MKFMLVWKOZGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-15-4-6-16(7-5-15)24(22,23)14-13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8H,9-14H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine?
1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 349.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2810612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).