5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole

C17H16N2O4S2 — CID 138392121

IUPAC5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H16N2O4S2/c1-12-8-10-14(11-9-12)25(22,23)17-16(24(2,20)21)18-15(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyLFEAVZROKRALKY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.62
Rot. Bonds4

About 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole

5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole (PubChem CID 138392121) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
PubChem CID138392121
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H16N2O4S2/c1-12-8-10-14(11-9-12)25(22,23)17-16(24(2,20)21)18-15(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyLFEAVZROKRALKY-UHFFFAOYSA-N
XLogP2.62
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-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 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole (CID 138392121) is 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole is Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The InChIKey is LFEAVZROKRALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-12-8-10-14(11-9-12)25(22,23)17-16(24(2,20)21)18-15(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole has a molecular weight of 376.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 138392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).