1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine

C12H15Cl3N2O2S — CID 6469732

IUPAC1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C12H15Cl3N2O2S/c1-2-16-3-5-17(6-4-16)20(18,19)12-8-10(14)9(13)7-11(12)15/h7-8H,2-6H2,1H3
InChIKeyPERZUIFJMRNPMD-UHFFFAOYSA-N
MW357.69 g/mol
LogP2.97
Rot. Bonds3

About 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine

1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine (PubChem CID 6469732) has the molecular formula C12H15Cl3N2O2S and a molecular weight of 357.69 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
PubChem CID6469732
Molecular FormulaC12H15Cl3N2O2S
Molecular Weight357.69 g/mol
Exact Mass355.99
IUPAC Name1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C12H15Cl3N2O2S/c1-2-16-3-5-17(6-4-16)20(18,19)12-8-10(14)9(13)7-11(12)15/h7-8H,2-6H2,1H3
InChIKeyPERZUIFJMRNPMD-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
CID 4912877
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
1-[(5-methylfuran-2-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17060392
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 91669823
5-chloro-3-(4-ethylpiperazin-1-yl)sulfonyl-2-methylaniline
CID 114378540
(2R)-2-methyl-1,4-bis[(2,4,5-trichlorophenyl)sulfonyl]piperazine
CID 98212086
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
[5-bromo-3-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61301039
3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 55044035

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine (CID 6469732) is 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The InChIKey is PERZUIFJMRNPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2S/c1-2-16-3-5-17(6-4-16)20(18,19)12-8-10(14)9(13)7-11(12)15/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine has a molecular weight of 357.69 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 6469732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).