1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine

C16H17ClN2O2S — CID 120776858

IUPAC1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c17-14-6-4-5-13(11-14)16-12-18-9-10-19(16)22(20,21)15-7-2-1-3-8-15/h1-8,11,16,18H,9-10,12H2
InChIKeyLIXMQSDLTINLNL-UHFFFAOYSA-N
MW336.84 g/mol
LogP2.68
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine

1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine (PubChem CID 120776858) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
PubChem CID120776858
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c17-14-6-4-5-13(11-14)16-12-18-9-10-19(16)22(20,21)15-7-2-1-3-8-15/h1-8,11,16,18H,9-10,12H2
InChIKeyLIXMQSDLTINLNL-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
CID 120776834
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate;hydrochloride
CID 120777003
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120776924
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine (CID 120776858) is 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine is O=S(=O)(c1ccccc1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine?
The InChIKey is LIXMQSDLTINLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-14-6-4-5-13(11-14)16-12-18-9-10-19(16)22(20,21)15-7-2-1-3-8-15/h1-8,11,16,18H,9-10,12H2.
What are the key properties of 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine?
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine has a molecular weight of 336.84 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine is sourced from PubChem (CID 120776858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).