4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole

C12H14N2O2S2 — CID 91393497

IUPAC4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole
SMILESCSCn1cnc(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C12H14N2O2S2/c1-10-3-5-11(6-4-10)18(15,16)12-7-14(8-13-12)9-17-2/h3-8H,9H2,1-2H3
InChIKeyUOZLFLCTMLSCRG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.34
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole

4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole (PubChem CID 91393497) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole
PubChem CID91393497
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole
SMILESCSCn1cnc(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C12H14N2O2S2/c1-10-3-5-11(6-4-10)18(15,16)12-7-14(8-13-12)9-17-2/h3-8H,9H2,1-2H3
InChIKeyUOZLFLCTMLSCRG-UHFFFAOYSA-N
XLogP2.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)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-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole (CID 91393497) is 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole is CSCn1cnc(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole?
The InChIKey is UOZLFLCTMLSCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-10-3-5-11(6-4-10)18(15,16)12-7-14(8-13-12)9-17-2/h3-8H,9H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole?
4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole has a molecular weight of 282.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-1-(methylsulfanylmethyl)imidazole is sourced from PubChem (CID 91393497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).