1-(4-fluorophenyl)sulfonyl-4-propylpiperazine

C13H19FN2O2S — CID 3799369

IUPAC1-(4-fluorophenyl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-2-7-15-8-10-16(11-9-15)19(17,18)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyRFLFNIAWGMPDDO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine

1-(4-fluorophenyl)sulfonyl-4-propylpiperazine (PubChem CID 3799369) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-propylpiperazine
PubChem CID3799369
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-2-7-15-8-10-16(11-9-15)19(17,18)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyRFLFNIAWGMPDDO-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine (CID 3799369) is 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine?
The InChIKey is RFLFNIAWGMPDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-7-15-8-10-16(11-9-15)19(17,18)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine?
1-(4-fluorophenyl)sulfonyl-4-propylpiperazine has a molecular weight of 286.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 3799369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).