1-(4-ethylsulfonyl-2-fluorophenyl)piperazine

C12H17FN2O2S — CID 26597587

IUPAC1-(4-ethylsulfonyl-2-fluorophenyl)piperazine
SMILESCCS(=O)(=O)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-2-18(16,17)10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyZGXFBHQTAPXKIK-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine

1-(4-ethylsulfonyl-2-fluorophenyl)piperazine (PubChem CID 26597587) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethylsulfonyl-2-fluorophenyl)piperazine
PubChem CID26597587
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-(4-ethylsulfonyl-2-fluorophenyl)piperazine
SMILESCCS(=O)(=O)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-2-18(16,17)10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyZGXFBHQTAPXKIK-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine?
The IUPAC name of 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine (CID 26597587) is 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine is CCS(=O)(=O)c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine?
The InChIKey is ZGXFBHQTAPXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-18(16,17)10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine?
1-(4-ethylsulfonyl-2-fluorophenyl)piperazine has a molecular weight of 272.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonyl-2-fluorophenyl)piperazine is sourced from PubChem (CID 26597587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).