1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine

C12H17FN2O2S — CID 697753

IUPAC1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C12H17FN2O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChIKeyRWVLWNYEHFXYQG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.15
Rot. Bonds3

About 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine

1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 697753) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID697753
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C12H17FN2O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChIKeyRWVLWNYEHFXYQG-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine (CID 697753) is 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is RWVLWNYEHFXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine?
1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 272.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 697753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).