1-(2-fluorophenyl)-4-propylsulfonylpiperazine

C13H19FN2O2S — CID 2947309

IUPAC1-(2-fluorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6H,2,7-11H2,1H3
InChIKeyVIJDFUIVZNQXIB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-fluorophenyl)-4-propylsulfonylpiperazine

1-(2-fluorophenyl)-4-propylsulfonylpiperazine (PubChem CID 2947309) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-propylsulfonylpiperazine
PubChem CID2947309
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(2-fluorophenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6H,2,7-11H2,1H3
InChIKeyVIJDFUIVZNQXIB-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-propylsulfonylpiperazine (CID 2947309) is 1-(2-fluorophenyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-propylsulfonylpiperazine?
The InChIKey is VIJDFUIVZNQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-propylsulfonylpiperazine?
1-(2-fluorophenyl)-4-propylsulfonylpiperazine has a molecular weight of 286.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 2947309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).