1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

C18H18F4N2O2S — CID 1342725

IUPAC1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H18F4N2O2S/c19-15-5-7-16(8-6-15)27(25,26)24-11-9-23(10-12-24)13-14-3-1-2-4-17(14)18(20,21)22/h1-8H,9-13H2
InChIKeyBEIXIFCCRCXBDF-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 1342725) has the molecular formula C18H18F4N2O2S and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID1342725
Molecular FormulaC18H18F4N2O2S
Molecular Weight402.41 g/mol
Exact Mass402.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H18F4N2O2S/c19-15-5-7-16(8-6-15)27(25,26)24-11-9-23(10-12-24)13-14-3-1-2-4-17(14)18(20,21)22/h1-8H,9-13H2
InChIKeyBEIXIFCCRCXBDF-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.35
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-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 1342725) is 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is BEIXIFCCRCXBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O2S/c19-15-5-7-16(8-6-15)27(25,26)24-11-9-23(10-12-24)13-14-3-1-2-4-17(14)18(20,21)22/h1-8H,9-13H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-(4-fluorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 402.41 g/mol, XLogP of 3.35, 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-[[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 1342725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).