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

C16H14Cl2F3N3O2S — CID 2741412

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H14Cl2F3N3O2S/c17-13-4-3-11(10-14(13)18)27(25,26)24-8-6-23(7-9-24)15-12(16(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2
InChIKeyOUKOZYKSIXPDSS-UHFFFAOYSA-N
MW440.27 g/mol
LogP3.92
Rot. Bonds3

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

1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 2741412) has the molecular formula C16H14Cl2F3N3O2S and a molecular weight of 440.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID2741412
Molecular FormulaC16H14Cl2F3N3O2S
Molecular Weight440.27 g/mol
Exact Mass439.01
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C16H14Cl2F3N3O2S/c17-13-4-3-11(10-14(13)18)27(25,26)24-8-6-23(7-9-24)15-12(16(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2
InChIKeyOUKOZYKSIXPDSS-UHFFFAOYSA-N
XLogP3.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 2741412) is 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is OUKOZYKSIXPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3N3O2S/c17-13-4-3-11(10-14(13)18)27(25,26)24-8-6-23(7-9-24)15-12(16(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 440.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 2741412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).