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

C12H17FN2O2S — CID 898195

IUPAC1-ethylsulfonyl-4-(2-fluorophenyl)piperazine
SMILESCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H17FN2O2S/c1-2-18(16,17)15-9-7-14(8-10-15)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChIKeyJLVKSJCRGXECRT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.30
Rot. Bonds3

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

1-ethylsulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 898195) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID898195
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-ethylsulfonyl-4-(2-fluorophenyl)piperazine
SMILESCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H17FN2O2S/c1-2-18(16,17)15-9-7-14(8-10-15)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChIKeyJLVKSJCRGXECRT-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 138529969
N,N-dimethyl-4-phenylpiperazine-1-sulfonamide
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1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
1-(Ethylsulfonyl)-4-phenylpiperazine
CID 230726
1-(2-Fluorophenyl)-4-(methylsulfonyl)piperazine
CID 831830
1-(2-Fluorophenyl)-4-(propylsulfonyl)piperazine
CID 2947309
1-(2-Fluoro-4-nitrophenyl)-4-(methylsulfonyl)piperazine
CID 3830279
1-(2-Fluorophenyl)-4-(2-methyl-2-buten-1-yl)piperazine
CID 757365
1-(4-Fluorophenyl)-4-piperidin-1-ylsulfonylpiperazine
CID 973778
7-Methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane
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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine (CID 898195) is 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine is CCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is JLVKSJCRGXECRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-18(16,17)15-9-7-14(8-10-15)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine?
1-ethylsulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 272.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 898195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).