6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride

C11H16Cl2O3SSi — CID 167714486

IUPAC6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride
SMILESCc1cc(Cl)c(S(=O)(=O)Cl)c(C)c1O[Si](C)(C)C
InChIInChI=1S/C11H16Cl2O3SSi/c1-7-6-9(12)11(17(13,14)15)8(2)10(7)16-18(3,4)5/h6H,1-5H3
InChIKeyHIDSBAMWCWEKTM-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride

6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride (PubChem CID 167714486) has the molecular formula C11H16Cl2O3SSi and a molecular weight of 327.31 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride
PubChem CID167714486
Molecular FormulaC11H16Cl2O3SSi
Molecular Weight327.31 g/mol
Exact Mass326.00
IUPAC Name6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride
SMILESCc1cc(Cl)c(S(=O)(=O)Cl)c(C)c1O[Si](C)(C)C
InChIInChI=1S/C11H16Cl2O3SSi/c1-7-6-9(12)11(17(13,14)15)8(2)10(7)16-18(3,4)5/h6H,1-5H3
InChIKeyHIDSBAMWCWEKTM-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride?
The IUPAC name of 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride (CID 167714486) is 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride.
What is the SMILES notation for 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride?
The canonical SMILES for 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride is Cc1cc(Cl)c(S(=O)(=O)Cl)c(C)c1O[Si](C)(C)C.
What is the InChIKey of 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride?
The InChIKey is HIDSBAMWCWEKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2O3SSi/c1-7-6-9(12)11(17(13,14)15)8(2)10(7)16-18(3,4)5/h6H,1-5H3.
What are the key properties of 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride?
6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride has a molecular weight of 327.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-3-trimethylsilyloxybenzenesulfonyl chloride is sourced from PubChem (CID 167714486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).