1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride

C16H17Cl3N2S — CID 53237902

IUPAC1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCl.Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2S.ClH/c17-12-5-6-15(13(18)11-12)21-16-4-2-1-3-14(16)20-9-7-19-8-10-20;/h1-6,11,19H,7-10H2;1H
InChIKeyRJOWFEDJGNNCDF-UHFFFAOYSA-N
MW375.75 g/mol
LogP4.98
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride

1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride (PubChem CID 53237902) has the molecular formula C16H17Cl3N2S and a molecular weight of 375.75 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride
PubChem CID53237902
Molecular FormulaC16H17Cl3N2S
Molecular Weight375.75 g/mol
Exact Mass374.02
IUPAC Name1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCl.Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2S.ClH/c17-12-5-6-15(13(18)11-12)21-16-4-2-1-3-14(16)20-9-7-19-8-10-20;/h1-6,11,19H,7-10H2;1H
InChIKeyRJOWFEDJGNNCDF-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride (CID 53237902) is 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride is Cl.Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The InChIKey is RJOWFEDJGNNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2S.ClH/c17-12-5-6-15(13(18)11-12)21-16-4-2-1-3-14(16)20-9-7-19-8-10-20;/h1-6,11,19H,7-10H2;1H.
What are the key properties of 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride has a molecular weight of 375.75 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride is sourced from PubChem (CID 53237902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).