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

C19H19F5N2O2S — CID 10160041

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F5N2O2S/c20-15-6-5-14(17(21)13-15)7-8-25-9-11-26(12-10-25)29(27,28)18-4-2-1-3-16(18)19(22,23)24/h1-6,13H,7-12H2
InChIKeyBHJROIVFWYIGFK-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.53
Rot. Bonds5

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

1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 10160041) has the molecular formula C19H19F5N2O2S and a molecular weight of 434.43 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID10160041
Molecular FormulaC19H19F5N2O2S
Molecular Weight434.43 g/mol
Exact Mass434.11
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F5N2O2S/c20-15-6-5-14(17(21)13-15)7-8-25-9-11-26(12-10-25)29(27,28)18-4-2-1-3-16(18)19(22,23)24/h1-6,13H,7-12H2
InChIKeyBHJROIVFWYIGFK-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
2-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylphenol;hydrochloride
CID 141037088
1-(thiophen-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30990917
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
(2R)-2-methyl-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 8689830
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 29339937
3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 51245976
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 10160041) is 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is BHJROIVFWYIGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N2O2S/c20-15-6-5-14(17(21)13-15)7-8-25-9-11-26(12-10-25)29(27,28)18-4-2-1-3-16(18)19(22,23)24/h1-6,13H,7-12H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 434.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 10160041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).