1H-imidazole-5-sulfonyl chloride

C3H3ClN2O2S — CID 18961164

IUPAC1H-imidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc[nH]1
InChIInChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKeyMXCZCMCHRWGSBX-UHFFFAOYSA-N
MW166.59 g/mol
LogP0.34
Rot. Bonds1

About 1H-imidazole-5-sulfonyl chloride

1H-imidazole-5-sulfonyl chloride (PubChem CID 18961164) has the molecular formula C3H3ClN2O2S and a molecular weight of 166.59 g/mol. Its IUPAC name is 1H-imidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1H-imidazole-5-sulfonyl chloride
PubChem CID18961164
Molecular FormulaC3H3ClN2O2S
Molecular Weight166.59 g/mol
Exact Mass165.96
IUPAC Name1H-imidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc[nH]1
InChIInChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKeyMXCZCMCHRWGSBX-UHFFFAOYSA-N
XLogP0.34
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.59
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-5-sulfonyl chloride?
The IUPAC name of 1H-imidazole-5-sulfonyl chloride (CID 18961164) is 1H-imidazole-5-sulfonyl chloride.
What is the SMILES notation for 1H-imidazole-5-sulfonyl chloride?
The canonical SMILES for 1H-imidazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc[nH]1.
What is the InChIKey of 1H-imidazole-5-sulfonyl chloride?
The InChIKey is MXCZCMCHRWGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6).
What are the key properties of 1H-imidazole-5-sulfonyl chloride?
1H-imidazole-5-sulfonyl chloride has a molecular weight of 166.59 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-5-sulfonyl chloride is sourced from PubChem (CID 18961164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).