1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine

C17H15Cl2F3N2O2S — CID 2462968

IUPAC1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2F3N2O2S/c18-12-2-1-3-13(10-12)23-6-8-24(9-7-23)27(25,26)14-4-5-16(19)15(11-14)17(20,21)22/h1-5,10-11H,6-9H2
InChIKeyXAKYLZJRMQLINE-UHFFFAOYSA-N
MW439.29 g/mol
LogP4.52
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine

1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 2462968) has the molecular formula C17H15Cl2F3N2O2S and a molecular weight of 439.29 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID2462968
Molecular FormulaC17H15Cl2F3N2O2S
Molecular Weight439.29 g/mol
Exact Mass438.02
IUPAC Name1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2F3N2O2S/c18-12-2-1-3-13(10-12)23-6-8-24(9-7-23)27(25,26)14-4-5-16(19)15(11-14)17(20,21)22/h1-5,10-11H,6-9H2
InChIKeyXAKYLZJRMQLINE-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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Related Compounds

1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 36928658
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100695438
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 2462968) is 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is XAKYLZJRMQLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O2S/c18-12-2-1-3-13(10-12)23-6-8-24(9-7-23)27(25,26)14-4-5-16(19)15(11-14)17(20,21)22/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine 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-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 2462968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).