4-(2-trimethoxysilylethyl)benzenesulfonyl chloride

C11H17ClO5SSi — CID 2733807

IUPAC4-(2-trimethoxysilylethyl)benzenesulfonyl chloride
SMILESCO[Si](CCc1ccc(S(=O)(=O)Cl)cc1)(OC)OC
InChIInChI=1S/C11H17ClO5SSi/c1-15-19(16-2,17-3)9-8-10-4-6-11(7-5-10)18(12,13)14/h4-7H,8-9H2,1-3H3
InChIKeyNYIDSUMRGUILGR-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.03
Rot. Bonds7

About 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride

4-(2-trimethoxysilylethyl)benzenesulfonyl chloride (PubChem CID 2733807) has the molecular formula C11H17ClO5SSi and a molecular weight of 324.86 g/mol. Its IUPAC name is 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-trimethoxysilylethyl)benzenesulfonyl chloride
PubChem CID2733807
Molecular FormulaC11H17ClO5SSi
Molecular Weight324.86 g/mol
Exact Mass324.03
IUPAC Name4-(2-trimethoxysilylethyl)benzenesulfonyl chloride
SMILESCO[Si](CCc1ccc(S(=O)(=O)Cl)cc1)(OC)OC
InChIInChI=1S/C11H17ClO5SSi/c1-15-19(16-2,17-3)9-8-10-4-6-11(7-5-10)18(12,13)14/h4-7H,8-9H2,1-3H3
InChIKeyNYIDSUMRGUILGR-UHFFFAOYSA-N
XLogP2.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride (CID 2733807) is 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride is CO[Si](CCc1ccc(S(=O)(=O)Cl)cc1)(OC)OC.
What is the InChIKey of 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride?
The InChIKey is NYIDSUMRGUILGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO5SSi/c1-15-19(16-2,17-3)9-8-10-4-6-11(7-5-10)18(12,13)14/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride?
4-(2-trimethoxysilylethyl)benzenesulfonyl chloride has a molecular weight of 324.86 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethoxysilylethyl)benzenesulfonyl chloride is sourced from PubChem (CID 2733807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).