1-(3-fluoro-4-methylsulfonylphenyl)piperazine

C11H15FN2O2S — CID 69037581

IUPAC1-(3-fluoro-4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCNCC2)cc1F
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)11-3-2-9(8-10(11)12)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyLAVOTSIDASLEQT-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.64
Rot. Bonds2

About 1-(3-fluoro-4-methylsulfonylphenyl)piperazine

1-(3-fluoro-4-methylsulfonylphenyl)piperazine (PubChem CID 69037581) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfonylphenyl)piperazine
PubChem CID69037581
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name1-(3-fluoro-4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCNCC2)cc1F
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)11-3-2-9(8-10(11)12)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyLAVOTSIDASLEQT-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(3-fluoro-4-methylsulfonylphenyl)piperazine (CID 69037581) is 1-(3-fluoro-4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(3-fluoro-4-methylsulfonylphenyl)piperazine is CS(=O)(=O)c1ccc(N2CCNCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfonylphenyl)piperazine?
The InChIKey is LAVOTSIDASLEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-17(15,16)11-3-2-9(8-10(11)12)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylsulfonylphenyl)piperazine?
1-(3-fluoro-4-methylsulfonylphenyl)piperazine has a molecular weight of 258.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 69037581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).