2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole

C10H8Cl2N2O2S — CID 110539041

IUPAC2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole
SMILESCS(=O)(=O)n1ccnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-17(15,16)14-6-5-13-10(14)9-7(11)3-2-4-8(9)12/h2-6H,1H3
InChIKeyJXAZGZGRRVDOAH-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.66
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole

2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole (PubChem CID 110539041) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole
PubChem CID110539041
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole
SMILESCS(=O)(=O)n1ccnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-17(15,16)14-6-5-13-10(14)9-7(11)3-2-4-8(9)12/h2-6H,1H3
InChIKeyJXAZGZGRRVDOAH-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole 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 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole (CID 110539041) is 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole is CS(=O)(=O)n1ccnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole?
The InChIKey is JXAZGZGRRVDOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-17(15,16)14-6-5-13-10(14)9-7(11)3-2-4-8(9)12/h2-6H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole?
2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole has a molecular weight of 291.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole is sourced from PubChem (CID 110539041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).