3-ethyl-2-methylimidazole-4-sulfonyl chloride

C6H9ClN2O2S — CID 50987958

IUPAC3-ethyl-2-methylimidazole-4-sulfonyl chloride
SMILESCCn1c(S(=O)(=O)Cl)cnc1C
InChIInChI=1S/C6H9ClN2O2S/c1-3-9-5(2)8-4-6(9)12(7,10)11/h4H,3H2,1-2H3
InChIKeyRPICWWZHRTYIJD-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.14
Rot. Bonds2

About 3-ethyl-2-methylimidazole-4-sulfonyl chloride

3-ethyl-2-methylimidazole-4-sulfonyl chloride (PubChem CID 50987958) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 3-ethyl-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-2-methylimidazole-4-sulfonyl chloride
PubChem CID50987958
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name3-ethyl-2-methylimidazole-4-sulfonyl chloride
SMILESCCn1c(S(=O)(=O)Cl)cnc1C
InChIInChI=1S/C6H9ClN2O2S/c1-3-9-5(2)8-4-6(9)12(7,10)11/h4H,3H2,1-2H3
InChIKeyRPICWWZHRTYIJD-UHFFFAOYSA-N
XLogP1.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-methylimidazole-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 3-ethyl-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 3-ethyl-2-methylimidazole-4-sulfonyl chloride (CID 50987958) is 3-ethyl-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 3-ethyl-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 3-ethyl-2-methylimidazole-4-sulfonyl chloride is CCn1c(S(=O)(=O)Cl)cnc1C.
What is the InChIKey of 3-ethyl-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is RPICWWZHRTYIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-3-9-5(2)8-4-6(9)12(7,10)11/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methylimidazole-4-sulfonyl chloride?
3-ethyl-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 50987958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).