1H-imidazole-2-sulfonyl chloride;hydrochloride

C3H4Cl2N2O2S — CID 71302078

IUPAC1H-imidazole-2-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1ncc[nH]1
InChIInChI=1S/C3H3ClN2O2S.ClH/c4-9(7,8)3-5-1-2-6-3;/h1-2H,(H,5,6);1H
InChIKeyPLUHSJKCLGXHLG-UHFFFAOYSA-N
MW203.05 g/mol
LogP0.76
Rot. Bonds1

About 1H-imidazole-2-sulfonyl chloride;hydrochloride

1H-imidazole-2-sulfonyl chloride;hydrochloride (PubChem CID 71302078) has the molecular formula C3H4Cl2N2O2S and a molecular weight of 203.05 g/mol. Its IUPAC name is 1H-imidazole-2-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name1H-imidazole-2-sulfonyl chloride;hydrochloride
PubChem CID71302078
Molecular FormulaC3H4Cl2N2O2S
Molecular Weight203.05 g/mol
Exact Mass201.94
IUPAC Name1H-imidazole-2-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1ncc[nH]1
InChIInChI=1S/C3H3ClN2O2S.ClH/c4-9(7,8)3-5-1-2-6-3;/h1-2H,(H,5,6);1H
InChIKeyPLUHSJKCLGXHLG-UHFFFAOYSA-N
XLogP0.76
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-2-sulfonyl chloride;hydrochloride?
The IUPAC name of 1H-imidazole-2-sulfonyl chloride;hydrochloride (CID 71302078) is 1H-imidazole-2-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 1H-imidazole-2-sulfonyl chloride;hydrochloride?
The canonical SMILES for 1H-imidazole-2-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)c1ncc[nH]1.
What is the InChIKey of 1H-imidazole-2-sulfonyl chloride;hydrochloride?
The InChIKey is PLUHSJKCLGXHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2O2S.ClH/c4-9(7,8)3-5-1-2-6-3;/h1-2H,(H,5,6);1H.
What are the key properties of 1H-imidazole-2-sulfonyl chloride;hydrochloride?
1H-imidazole-2-sulfonyl chloride;hydrochloride has a molecular weight of 203.05 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-2-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 71302078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).