1-propan-2-ylimidazole-4-sulfonyl chloride

C6H9ClN2O2S — CID 54595262

IUPAC1-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)n1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H9ClN2O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3
InChIKeyANCMLGODQYIJMA-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.39
Rot. Bonds2

About 1-propan-2-ylimidazole-4-sulfonyl chloride

1-propan-2-ylimidazole-4-sulfonyl chloride (PubChem CID 54595262) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 1-propan-2-ylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-propan-2-ylimidazole-4-sulfonyl chloride
PubChem CID54595262
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name1-propan-2-ylimidazole-4-sulfonyl chloride
SMILESCC(C)n1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H9ClN2O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3
InChIKeyANCMLGODQYIJMA-UHFFFAOYSA-N
XLogP1.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-propan-2-ylimidazole-4-sulfonyl chloride (CID 54595262) is 1-propan-2-ylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-propan-2-ylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-propan-2-ylimidazole-4-sulfonyl chloride is CC(C)n1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-propan-2-ylimidazole-4-sulfonyl chloride?
The InChIKey is ANCMLGODQYIJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3.
What are the key properties of 1-propan-2-ylimidazole-4-sulfonyl chloride?
1-propan-2-ylimidazole-4-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 54595262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).