1-(2-fluorophenyl)-4-methylsulfonylpiperazine

C11H15FN2O2S — CID 831830

IUPAC1-(2-fluorophenyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-5-3-2-4-10(11)12/h2-5H,6-9H2,1H3
InChIKeyBHARQVCTAPCBLI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.91
Rot. Bonds2

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

1-(2-fluorophenyl)-4-methylsulfonylpiperazine (PubChem CID 831830) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-methylsulfonylpiperazine
PubChem CID831830
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name1-(2-fluorophenyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-5-3-2-4-10(11)12/h2-5H,6-9H2,1H3
InChIKeyBHARQVCTAPCBLI-UHFFFAOYSA-N
XLogP0.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.91
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-methylsulfonylpiperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-methylsulfonylpiperazine (CID 831830) is 1-(2-fluorophenyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-methylsulfonylpiperazine?
The InChIKey is BHARQVCTAPCBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-5-3-2-4-10(11)12/h2-5H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-methylsulfonylpiperazine?
1-(2-fluorophenyl)-4-methylsulfonylpiperazine has a molecular weight of 258.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 831830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).