1-prop-2-enylimidazole-4-sulfonyl chloride

C6H7ClN2O2S — CID 82911418

IUPAC1-prop-2-enylimidazole-4-sulfonyl chloride
SMILESC=CCn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H7ClN2O2S/c1-2-3-9-4-6(8-5-9)12(7,10)11/h2,4-5H,1,3H2
InChIKeyATXWGWRCLFBKGH-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.00
Rot. Bonds3

About 1-prop-2-enylimidazole-4-sulfonyl chloride

1-prop-2-enylimidazole-4-sulfonyl chloride (PubChem CID 82911418) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 1-prop-2-enylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-prop-2-enylimidazole-4-sulfonyl chloride
PubChem CID82911418
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name1-prop-2-enylimidazole-4-sulfonyl chloride
SMILESC=CCn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H7ClN2O2S/c1-2-3-9-4-6(8-5-9)12(7,10)11/h2,4-5H,1,3H2
InChIKeyATXWGWRCLFBKGH-UHFFFAOYSA-N
XLogP1.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-prop-2-enylimidazole-4-sulfonyl chloride (CID 82911418) is 1-prop-2-enylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-prop-2-enylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-prop-2-enylimidazole-4-sulfonyl chloride is C=CCn1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-prop-2-enylimidazole-4-sulfonyl chloride?
The InChIKey is ATXWGWRCLFBKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-2-3-9-4-6(8-5-9)12(7,10)11/h2,4-5H,1,3H2.
What are the key properties of 1-prop-2-enylimidazole-4-sulfonyl chloride?
1-prop-2-enylimidazole-4-sulfonyl chloride has a molecular weight of 206.65 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).