1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide

C22H14Cl3FN4O2S — CID 11432444

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide
SMILESN/C(=N/S(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H14Cl3FN4O2S/c23-13-1-6-16(7-2-13)30-12-20(28-22(30)18-10-3-14(24)11-19(18)25)21(27)29-33(31,32)17-8-4-15(26)5-9-17/h1-12H,(H2,27,29)
InChIKeyRDBCFJBAWGHWHE-UHFFFAOYSA-N
MW523.80 g/mol
LogP5.73
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide (PubChem CID 11432444) has the molecular formula C22H14Cl3FN4O2S and a molecular weight of 523.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide
PubChem CID11432444
Molecular FormulaC22H14Cl3FN4O2S
Molecular Weight523.80 g/mol
Exact Mass521.99
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide
SMILESN/C(=N/S(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H14Cl3FN4O2S/c23-13-1-6-16(7-2-13)30-12-20(28-22(30)18-10-3-14(24)11-19(18)25)21(27)29-33(31,32)17-8-4-15(26)5-9-17/h1-12H,(H2,27,29)
InChIKeyRDBCFJBAWGHWHE-UHFFFAOYSA-N
XLogP5.73
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.80
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
2-bromo-1-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]ethanone
CID 86592993
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide
CID 163957647
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285377
4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
CID 22998004
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 10185862
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
CID 142958781
1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
CID 54379362
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285405

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide (CID 11432444) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide is N/C(=N/S(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide?
The InChIKey is RDBCFJBAWGHWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3FN4O2S/c23-13-1-6-16(7-2-13)30-12-20(28-22(30)18-10-3-14(24)11-19(18)25)21(27)29-33(31,32)17-8-4-15(26)5-9-17/h1-12H,(H2,27,29).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide has a molecular weight of 523.80 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide is sourced from PubChem (CID 11432444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).