1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine

C19H23FN2O2S — CID 608940

IUPAC1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine
SMILESO=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyAPWIJYJUENUNBW-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.42
Rot. Bonds6

About 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine

1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine (PubChem CID 608940) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine
PubChem CID608940
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine
SMILESO=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyAPWIJYJUENUNBW-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine (CID 608940) is 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine is O=S(=O)(CCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine?
The InChIKey is APWIJYJUENUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine?
1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine has a molecular weight of 362.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine is sourced from PubChem (CID 608940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).