2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride

C14H22Cl2N2O2S — CID 120757517

IUPAC2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
SMILESCCS(=O)(=O)CCN1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-2-20(18,19)10-9-17-8-7-16-11-14(17)12-5-3-4-6-13(12)15;/h3-6,14,16H,2,7-11H2,1H3;1H
InChIKeyGZMCLKCVZJGJNO-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride

2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride (PubChem CID 120757517) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
PubChem CID120757517
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
SMILESCCS(=O)(=O)CCN1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-2-20(18,19)10-9-17-8-7-16-11-14(17)12-5-3-4-6-13(12)15;/h3-6,14,16H,2,7-11H2,1H3;1H
InChIKeyGZMCLKCVZJGJNO-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(2-ethylsulfanylethyl)piperazine;hydrochloride
CID 120757707
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 120757602
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride (CID 120757517) is 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride is CCS(=O)(=O)CCN1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride?
The InChIKey is GZMCLKCVZJGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S.ClH/c1-2-20(18,19)10-9-17-8-7-16-11-14(17)12-5-3-4-6-13(12)15;/h3-6,14,16H,2,7-11H2,1H3;1H.
What are the key properties of 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride?
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride has a molecular weight of 353.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride is sourced from PubChem (CID 120757517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).