4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole

C16H12ClN3O4S — CID 22600064

IUPAC4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H12ClN3O4S/c1-25(23,24)14-8-6-12(7-9-14)19-10-18-16(17)15(19)11-2-4-13(5-3-11)20(21)22/h2-10H,1H3
InChIKeyULTYONFZSCLVJZ-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.50
Rot. Bonds4

About 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole

4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole (PubChem CID 22600064) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole
PubChem CID22600064
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC Name4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H12ClN3O4S/c1-25(23,24)14-8-6-12(7-9-14)19-10-18-16(17)15(19)11-2-4-13(5-3-11)20(21)22/h2-10H,1H3
InChIKeyULTYONFZSCLVJZ-UHFFFAOYSA-N
XLogP3.50
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole 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-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole?
The IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole (CID 22600064) is 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole?
The canonical SMILES for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole is CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole?
The InChIKey is ULTYONFZSCLVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c1-25(23,24)14-8-6-12(7-9-14)19-10-18-16(17)15(19)11-2-4-13(5-3-11)20(21)22/h2-10H,1H3.
What are the key properties of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole?
4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole has a molecular weight of 377.81 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole is sourced from PubChem (CID 22600064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).