3-methylimidazole-4-sulfonyl chloride;hydrochloride

C4H6Cl2N2O2S — CID 87693928

IUPAC3-methylimidazole-4-sulfonyl chloride;hydrochloride
SMILESCl.Cn1cncc1S(=O)(=O)Cl
InChIInChI=1S/C4H5ClN2O2S.ClH/c1-7-3-6-2-4(7)10(5,8)9;/h2-3H,1H3;1H
InChIKeyUGRPJDZLEOWFHV-UHFFFAOYSA-N
MW217.08 g/mol
LogP0.77
Rot. Bonds1

About 3-methylimidazole-4-sulfonyl chloride;hydrochloride

3-methylimidazole-4-sulfonyl chloride;hydrochloride (PubChem CID 87693928) has the molecular formula C4H6Cl2N2O2S and a molecular weight of 217.08 g/mol. Its IUPAC name is 3-methylimidazole-4-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name3-methylimidazole-4-sulfonyl chloride;hydrochloride
PubChem CID87693928
Molecular FormulaC4H6Cl2N2O2S
Molecular Weight217.08 g/mol
Exact Mass215.95
IUPAC Name3-methylimidazole-4-sulfonyl chloride;hydrochloride
SMILESCl.Cn1cncc1S(=O)(=O)Cl
InChIInChI=1S/C4H5ClN2O2S.ClH/c1-7-3-6-2-4(7)10(5,8)9;/h2-3H,1H3;1H
InChIKeyUGRPJDZLEOWFHV-UHFFFAOYSA-N
XLogP0.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazole-4-sulfonyl chloride;hydrochloride?
The IUPAC name of 3-methylimidazole-4-sulfonyl chloride;hydrochloride (CID 87693928) is 3-methylimidazole-4-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 3-methylimidazole-4-sulfonyl chloride;hydrochloride?
The canonical SMILES for 3-methylimidazole-4-sulfonyl chloride;hydrochloride is Cl.Cn1cncc1S(=O)(=O)Cl.
What is the InChIKey of 3-methylimidazole-4-sulfonyl chloride;hydrochloride?
The InChIKey is UGRPJDZLEOWFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S.ClH/c1-7-3-6-2-4(7)10(5,8)9;/h2-3H,1H3;1H.
What are the key properties of 3-methylimidazole-4-sulfonyl chloride;hydrochloride?
3-methylimidazole-4-sulfonyl chloride;hydrochloride has a molecular weight of 217.08 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazole-4-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 87693928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).