4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole

C10H7Cl3N2O2S — CID 775504

IUPAC4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole
SMILESCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cn1
InChIInChI=1S/C10H7Cl3N2O2S/c1-6-4-15(5-14-6)18(16,17)10-3-8(12)7(11)2-9(10)13/h2-5H,1H3
InChIKeyZUGXEUVSEOOXRS-UHFFFAOYSA-N
MW325.60 g/mol
LogP3.39
Rot. Bonds2

About 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole

4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole (PubChem CID 775504) has the molecular formula C10H7Cl3N2O2S and a molecular weight of 325.60 g/mol. Its IUPAC name is 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole.

Molecular Properties

Compound Name4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole
PubChem CID775504
Molecular FormulaC10H7Cl3N2O2S
Molecular Weight325.60 g/mol
Exact Mass323.93
IUPAC Name4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole
SMILESCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cn1
InChIInChI=1S/C10H7Cl3N2O2S/c1-6-4-15(5-14-6)18(16,17)10-3-8(12)7(11)2-9(10)13/h2-5H,1H3
InChIKeyZUGXEUVSEOOXRS-UHFFFAOYSA-N
XLogP3.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.60
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole?
The IUPAC name of 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole (CID 775504) is 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole.
What is the SMILES notation for 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole?
The canonical SMILES for 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole is Cc1cn(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cn1.
What is the InChIKey of 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole?
The InChIKey is ZUGXEUVSEOOXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O2S/c1-6-4-15(5-14-6)18(16,17)10-3-8(12)7(11)2-9(10)13/h2-5H,1H3.
What are the key properties of 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole?
4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole has a molecular weight of 325.60 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,4,5-trichlorophenyl)sulfonylimidazole is sourced from PubChem (CID 775504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).