1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine

C16H16F2N2O2S — CID 717938

IUPAC1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16F2N2O2S/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)23(21,22)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChIKeyUSWBZXPSJOFLTH-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.48
Rot. Bonds3

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

1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 717938) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID717938
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16F2N2O2S/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)23(21,22)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChIKeyUSWBZXPSJOFLTH-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine (CID 717938) is 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is USWBZXPSJOFLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)23(21,22)16-7-3-14(18)4-8-16/h1-8H,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 338.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 717938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).