1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride

C18H22Cl2N2O2S — CID 120770977

IUPAC1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CCN1CCNCC1c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2S.ClH/c19-16-6-4-5-15(13-16)18-14-20-9-10-21(18)11-12-24(22,23)17-7-2-1-3-8-17;/h1-8,13,18,20H,9-12,14H2;1H
InChIKeyMLSAZAKIHAPRBN-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride

1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride (PubChem CID 120770977) has the molecular formula C18H22Cl2N2O2S and a molecular weight of 401.36 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
PubChem CID120770977
Molecular FormulaC18H22Cl2N2O2S
Molecular Weight401.36 g/mol
Exact Mass400.08
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CCN1CCNCC1c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2S.ClH/c19-16-6-4-5-15(13-16)18-14-20-9-10-21(18)11-12-24(22,23)17-7-2-1-3-8-17;/h1-8,13,18,20H,9-12,14H2;1H
InChIKeyMLSAZAKIHAPRBN-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120771182
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
CID 120771011
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride (CID 120770977) is 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride is Cl.O=S(=O)(CCN1CCNCC1c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride?
The InChIKey is MLSAZAKIHAPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S.ClH/c19-16-6-4-5-15(13-16)18-14-20-9-10-21(18)11-12-24(22,23)17-7-2-1-3-8-17;/h1-8,13,18,20H,9-12,14H2;1H.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride?
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride has a molecular weight of 401.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 120770977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).