1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine

C17H14Cl2F4N2O2S — CID 24906060

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H14Cl2F4N2O2S/c18-14-3-2-12(10-15(14)19)28(26,27)25-7-5-24(6-8-25)16-4-1-11(20)9-13(16)17(21,22)23/h1-4,9-10H,5-8H2
InChIKeySKIMIJDRZJUATF-UHFFFAOYSA-N
MW457.28 g/mol
LogP4.66
Rot. Bonds3

About 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine

1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine (PubChem CID 24906060) has the molecular formula C17H14Cl2F4N2O2S and a molecular weight of 457.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine
PubChem CID24906060
Molecular FormulaC17H14Cl2F4N2O2S
Molecular Weight457.28 g/mol
Exact Mass456.01
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H14Cl2F4N2O2S/c18-14-3-2-12(10-15(14)19)28(26,27)25-7-5-24(6-8-25)16-4-1-11(20)9-13(16)17(21,22)23/h1-4,9-10H,5-8H2
InChIKeySKIMIJDRZJUATF-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.28
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine (CID 24906060) is 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is SKIMIJDRZJUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F4N2O2S/c18-14-3-2-12(10-15(14)19)28(26,27)25-7-5-24(6-8-25)16-4-1-11(20)9-13(16)17(21,22)23/h1-4,9-10H,5-8H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 457.28 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 24906060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).