1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

C17H15F5N2O2S — CID 3807892

IUPAC1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H15F5N2O2S/c18-13-3-6-16(15(19)11-13)23-7-9-24(10-8-23)27(25,26)14-4-1-12(2-5-14)17(20,21)22/h1-6,11H,7-10H2
InChIKeyVLPFRDVESNQRIY-UHFFFAOYSA-N
MW406.38 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 3807892) has the molecular formula C17H15F5N2O2S and a molecular weight of 406.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID3807892
Molecular FormulaC17H15F5N2O2S
Molecular Weight406.38 g/mol
Exact Mass406.08
IUPAC Name1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H15F5N2O2S/c18-13-3-6-16(15(19)11-13)23-7-9-24(10-8-23)27(25,26)14-4-1-12(2-5-14)17(20,21)22/h1-6,11H,7-10H2
InChIKeyVLPFRDVESNQRIY-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
CID 3816055
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 26946811
1-(4-fluoro-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 26451318
1-(2,5-difluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 27817251
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
[6-[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-inden-1-yl]methanediol
CID 135160334
1-(benzenesulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 2890367
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722
1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
N-[[3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 25074114
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 3807892) is 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is VLPFRDVESNQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O2S/c18-13-3-6-16(15(19)11-13)23-7-9-24(10-8-23)27(25,26)14-4-1-12(2-5-14)17(20,21)22/h1-6,11H,7-10H2.
What are the key properties of 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 406.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 3807892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).