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

C18H19Cl3N2O2S — CID 91669823

IUPAC1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C18H19Cl3N2O2S/c1-2-13-5-3-4-6-17(13)22-7-9-23(10-8-22)26(24,25)18-12-15(20)14(19)11-16(18)21/h3-6,11-12H,2,7-10H2,1H3
InChIKeyILCOHRDGMDLXQU-UHFFFAOYSA-N
MW433.79 g/mol
LogP4.72
Rot. Bonds4

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

1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine (PubChem CID 91669823) has the molecular formula C18H19Cl3N2O2S and a molecular weight of 433.79 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
PubChem CID91669823
Molecular FormulaC18H19Cl3N2O2S
Molecular Weight433.79 g/mol
Exact Mass432.02
IUPAC Name1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C18H19Cl3N2O2S/c1-2-13-5-3-4-6-17(13)22-7-9-23(10-8-22)26(24,25)18-12-15(20)14(19)11-16(18)21/h3-6,11-12H,2,7-10H2,1H3
InChIKeyILCOHRDGMDLXQU-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.79
LogP ≤ 54.72
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-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113075851
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 6469732
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine (CID 91669823) is 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine is CCc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
The InChIKey is ILCOHRDGMDLXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O2S/c1-2-13-5-3-4-6-17(13)22-7-9-23(10-8-22)26(24,25)18-12-15(20)14(19)11-16(18)21/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine?
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine has a molecular weight of 433.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 91669823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).