2,5-dichloro-1-methylimidazole-4-sulfonyl chloride

C4H3Cl3N2O2S — CID 71756159

IUPAC2,5-dichloro-1-methylimidazole-4-sulfonyl chloride
SMILESCn1c(Cl)nc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C4H3Cl3N2O2S/c1-9-2(5)3(8-4(9)6)12(7,10)11/h1H3
InChIKeyRIYXETKUJUISMD-UHFFFAOYSA-N
MW249.51 g/mol
LogP1.65
Rot. Bonds1

About 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride

2,5-dichloro-1-methylimidazole-4-sulfonyl chloride (PubChem CID 71756159) has the molecular formula C4H3Cl3N2O2S and a molecular weight of 249.51 g/mol. Its IUPAC name is 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-1-methylimidazole-4-sulfonyl chloride
PubChem CID71756159
Molecular FormulaC4H3Cl3N2O2S
Molecular Weight249.51 g/mol
Exact Mass247.90
IUPAC Name2,5-dichloro-1-methylimidazole-4-sulfonyl chloride
SMILESCn1c(Cl)nc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C4H3Cl3N2O2S/c1-9-2(5)3(8-4(9)6)12(7,10)11/h1H3
InChIKeyRIYXETKUJUISMD-UHFFFAOYSA-N
XLogP1.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride (CID 71756159) is 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride is Cn1c(Cl)nc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride?
The InChIKey is RIYXETKUJUISMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl3N2O2S/c1-9-2(5)3(8-4(9)6)12(7,10)11/h1H3.
What are the key properties of 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride?
2,5-dichloro-1-methylimidazole-4-sulfonyl chloride has a molecular weight of 249.51 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 71756159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).