2,6-dichlorobenzenesulfonyl chloride

C6H3Cl3O2S — CID 522183

IUPAC2,6-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
InChIKeyWGGKQIKICKLWGN-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.92
Rot. Bonds1

About 2,6-dichlorobenzenesulfonyl chloride

2,6-dichlorobenzenesulfonyl chloride (PubChem CID 522183) has the molecular formula C6H3Cl3O2S and a molecular weight of 245.51 g/mol. Its IUPAC name is 2,6-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dichlorobenzenesulfonyl chloride
PubChem CID522183
Molecular FormulaC6H3Cl3O2S
Molecular Weight245.51 g/mol
Exact Mass243.89
IUPAC Name2,6-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
InChIKeyWGGKQIKICKLWGN-UHFFFAOYSA-N
XLogP2.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzenesulfonyl chloride?
The IUPAC name of 2,6-dichlorobenzenesulfonyl chloride (CID 522183) is 2,6-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 2,6-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 2,6-dichlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzenesulfonyl chloride?
The InChIKey is WGGKQIKICKLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H.
What are the key properties of 2,6-dichlorobenzenesulfonyl chloride?
2,6-dichlorobenzenesulfonyl chloride has a molecular weight of 245.51 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 522183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).