1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine

C12H16Cl2N2O2S — CID 697942

IUPAC1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O2S/c1-2-15-6-8-16(9-7-15)19(17,18)12-10(13)4-3-5-11(12)14/h3-5H,2,6-9H2,1H3
InChIKeyPUJISLOGARAUOU-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine

1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine (PubChem CID 697942) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine
PubChem CID697942
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O2S/c1-2-15-6-8-16(9-7-15)19(17,18)12-10(13)4-3-5-11(12)14/h3-5H,2,6-9H2,1H3
InChIKeyPUJISLOGARAUOU-UHFFFAOYSA-N
XLogP2.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine (CID 697942) is 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is PUJISLOGARAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-2-15-6-8-16(9-7-15)19(17,18)12-10(13)4-3-5-11(12)14/h3-5H,2,6-9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine?
1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 323.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 697942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).