4-silylbenzenesulfonyl chloride

C6H7ClO2SSi — CID 174005817

IUPAC4-silylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc([SiH3])cc1
InChIInChI=1S/C6H7ClO2SSi/c7-10(8,9)5-1-3-6(11)4-2-5/h1-4H,11H3
InChIKeyYNPAEIWLRRXQOJ-UHFFFAOYSA-N
MW206.73 g/mol
LogP-0.40
Rot. Bonds1

About 4-silylbenzenesulfonyl chloride

4-silylbenzenesulfonyl chloride (PubChem CID 174005817) has the molecular formula C6H7ClO2SSi and a molecular weight of 206.73 g/mol. Its IUPAC name is 4-silylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-silylbenzenesulfonyl chloride
PubChem CID174005817
Molecular FormulaC6H7ClO2SSi
Molecular Weight206.73 g/mol
Exact Mass205.96
IUPAC Name4-silylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc([SiH3])cc1
InChIInChI=1S/C6H7ClO2SSi/c7-10(8,9)5-1-3-6(11)4-2-5/h1-4H,11H3
InChIKeyYNPAEIWLRRXQOJ-UHFFFAOYSA-N
XLogP-0.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.73
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-silylbenzenesulfonyl chloride?
The IUPAC name of 4-silylbenzenesulfonyl chloride (CID 174005817) is 4-silylbenzenesulfonyl chloride.
What is the SMILES notation for 4-silylbenzenesulfonyl chloride?
The canonical SMILES for 4-silylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc([SiH3])cc1.
What is the InChIKey of 4-silylbenzenesulfonyl chloride?
The InChIKey is YNPAEIWLRRXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO2SSi/c7-10(8,9)5-1-3-6(11)4-2-5/h1-4H,11H3.
What are the key properties of 4-silylbenzenesulfonyl chloride?
4-silylbenzenesulfonyl chloride has a molecular weight of 206.73 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-silylbenzenesulfonyl chloride is sourced from PubChem (CID 174005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).