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

C17H15Cl2F3N2O2S — CID 24906059

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H15Cl2F3N2O2S/c18-14-6-5-12(11-15(14)19)27(25,26)24-9-7-23(8-10-24)16-4-2-1-3-13(16)17(20,21)22/h1-6,11H,7-10H2
InChIKeyNOCUMXWDXPREBX-UHFFFAOYSA-N
MW439.29 g/mol
LogP4.52
Rot. Bonds3

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

1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 24906059) has the molecular formula C17H15Cl2F3N2O2S and a molecular weight of 439.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID24906059
Molecular FormulaC17H15Cl2F3N2O2S
Molecular Weight439.29 g/mol
Exact Mass438.02
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H15Cl2F3N2O2S/c18-14-6-5-12(11-15(14)19)27(25,26)24-9-7-23(8-10-24)16-4-2-1-3-13(16)17(20,21)22/h1-6,11H,7-10H2
InChIKeyNOCUMXWDXPREBX-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 54.52
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-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine (CID 24906059) is 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is NOCUMXWDXPREBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O2S/c18-14-6-5-12(11-15(14)19)27(25,26)24-9-7-23(8-10-24)16-4-2-1-3-13(16)17(20,21)22/h1-6,11H,7-10H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 439.29 g/mol, XLogP of 4.52, 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-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 24906059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).