1,2-dimethylimidazole-4-sulfonyl chloride

C5H7ClN2O2S — CID 2736256

IUPAC1,2-dimethylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3
InChIKeyJPAFTHVNSBWVQJ-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.66
Rot. Bonds1

About 1,2-dimethylimidazole-4-sulfonyl chloride

1,2-dimethylimidazole-4-sulfonyl chloride (PubChem CID 2736256) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 1,2-dimethylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1,2-dimethylimidazole-4-sulfonyl chloride
PubChem CID2736256
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name1,2-dimethylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3
InChIKeyJPAFTHVNSBWVQJ-UHFFFAOYSA-N
XLogP0.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole-4-sulfonyl chloride?
The IUPAC name of 1,2-dimethylimidazole-4-sulfonyl chloride (CID 2736256) is 1,2-dimethylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1,2-dimethylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1,2-dimethylimidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 1,2-dimethylimidazole-4-sulfonyl chloride?
The InChIKey is JPAFTHVNSBWVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3.
What are the key properties of 1,2-dimethylimidazole-4-sulfonyl chloride?
1,2-dimethylimidazole-4-sulfonyl chloride has a molecular weight of 194.64 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 2736256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).