5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride

C5H6Cl2N2O2S — CID 91534940

IUPAC5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)c(Cl)n1C
InChIInChI=1S/C5H6Cl2N2O2S/c1-3-8-5(12(7,10)11)4(6)9(3)2/h1-2H3
InChIKeyLIFMJBDANATILD-UHFFFAOYSA-N
MW229.09 g/mol
LogP1.31
Rot. Bonds1

About 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride

5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride (PubChem CID 91534940) has the molecular formula C5H6Cl2N2O2S and a molecular weight of 229.09 g/mol. Its IUPAC name is 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride
PubChem CID91534940
Molecular FormulaC5H6Cl2N2O2S
Molecular Weight229.09 g/mol
Exact Mass227.95
IUPAC Name5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)c(Cl)n1C
InChIInChI=1S/C5H6Cl2N2O2S/c1-3-8-5(12(7,10)11)4(6)9(3)2/h1-2H3
InChIKeyLIFMJBDANATILD-UHFFFAOYSA-N
XLogP1.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride 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-chloro-1,2-dimethylimidazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride (CID 91534940) is 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)c(Cl)n1C.
What is the InChIKey of 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride?
The InChIKey is LIFMJBDANATILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2O2S/c1-3-8-5(12(7,10)11)4(6)9(3)2/h1-2H3.
What are the key properties of 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride?
5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride has a molecular weight of 229.09 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 91534940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).