4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride

C9H15Cl3N2O3SSi — CID 86761667

IUPAC4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
SMILESC[Si](C)(C)CCOCn1c(S(=O)(=O)Cl)nc(Cl)c1Cl
InChIInChI=1S/C9H15Cl3N2O3SSi/c1-19(2,3)5-4-17-6-14-8(11)7(10)13-9(14)18(12,15)16/h4-6H2,1-3H3
InChIKeyNNCAYLHBEWCFFX-UHFFFAOYSA-N
MW365.74 g/mol
LogP3.43
Rot. Bonds6

About 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride

4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride (PubChem CID 86761667) has the molecular formula C9H15Cl3N2O3SSi and a molecular weight of 365.74 g/mol. Its IUPAC name is 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
PubChem CID86761667
Molecular FormulaC9H15Cl3N2O3SSi
Molecular Weight365.74 g/mol
Exact Mass363.96
IUPAC Name4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
SMILESC[Si](C)(C)CCOCn1c(S(=O)(=O)Cl)nc(Cl)c1Cl
InChIInChI=1S/C9H15Cl3N2O3SSi/c1-19(2,3)5-4-17-6-14-8(11)7(10)13-9(14)18(12,15)16/h4-6H2,1-3H3
InChIKeyNNCAYLHBEWCFFX-UHFFFAOYSA-N
XLogP3.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride?
The IUPAC name of 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride (CID 86761667) is 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride.
What is the SMILES notation for 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride?
The canonical SMILES for 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride is C[Si](C)(C)CCOCn1c(S(=O)(=O)Cl)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride?
The InChIKey is NNCAYLHBEWCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl3N2O3SSi/c1-19(2,3)5-4-17-6-14-8(11)7(10)13-9(14)18(12,15)16/h4-6H2,1-3H3.
What are the key properties of 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride?
4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride has a molecular weight of 365.74 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride is sourced from PubChem (CID 86761667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).