2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole

C12H11Cl3N2O2S — CID 2897522

IUPAC2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H11Cl3N2O2S/c1-3-10-16-7(2)6-17(10)20(18,19)9-5-4-8(13)11(14)12(9)15/h4-6H,3H2,1-2H3
InChIKeyCZKXNDNQOTYHQP-UHFFFAOYSA-N
MW353.66 g/mol
LogP3.95
Rot. Bonds3

About 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole

2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole (PubChem CID 2897522) has the molecular formula C12H11Cl3N2O2S and a molecular weight of 353.66 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole
PubChem CID2897522
Molecular FormulaC12H11Cl3N2O2S
Molecular Weight353.66 g/mol
Exact Mass351.96
IUPAC Name2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H11Cl3N2O2S/c1-3-10-16-7(2)6-17(10)20(18,19)9-5-4-8(13)11(14)12(9)15/h4-6H,3H2,1-2H3
InChIKeyCZKXNDNQOTYHQP-UHFFFAOYSA-N
XLogP3.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.66
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)sulfonyl]-2,4-dimethyl-1H-imidazole
CID 700899
1-(2,4-Dichlorophenyl)sulfonylimidazole
CID 4914608
1-(3-Chloro-4-fluorophenyl)sulfonyl-4-methylimidazole
CID 16010024
1-[(2,5-dichlorophenyl)sulfonyl]-2-isopropyl-1H-imidazole
CID 794380
1-(4-Chlorophenyl)sulfonyl-2-methylimidazole
CID 402990
Benzenesulfonamide, 4-chloro-N-(1-cyclohexyl-5-methyl)-1H-imidazol-2-yl)-
CID 3054817
Benzenesulfonamide, 4-chloro-N-(5-methyl-1-(2-propynyl)-1H-imidazol-2-yl)-
CID 3054822
2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 164612160
1(2,5-Dichloro-benzenesulfonyl)-4-methyl-1H-imidazole
CID 589424
1-(2,4-Dichlorobenzenesulfonyl)-2-methyl-1H-imidazole
CID 610596
4-methyl-1-(2,3,4-trichlorobenzenesulfonyl)-1H-imidazole
CID 674147
1-(2,5-Dichlorophenyl)sulfonyl-2-methylimidazole
CID 683448

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole?
The IUPAC name of 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole (CID 2897522) is 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole.
What is the SMILES notation for 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole?
The canonical SMILES for 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole is CCc1nc(C)cn1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole?
The InChIKey is CZKXNDNQOTYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O2S/c1-3-10-16-7(2)6-17(10)20(18,19)9-5-4-8(13)11(14)12(9)15/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole?
2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole has a molecular weight of 353.66 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1-(2,3,4-trichlorophenyl)sulfonylimidazole is sourced from PubChem (CID 2897522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).