2-bromo-4,6-dichlorobenzenesulfonyl chloride

C6H2BrCl3O2S — CID 2737467

IUPAC2-bromo-4,6-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C6H2BrCl3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H
InChIKeyFWBOGDGDIZUVFT-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.68
Rot. Bonds1

About 2-bromo-4,6-dichlorobenzenesulfonyl chloride

2-bromo-4,6-dichlorobenzenesulfonyl chloride (PubChem CID 2737467) has the molecular formula C6H2BrCl3O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-bromo-4,6-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4,6-dichlorobenzenesulfonyl chloride
PubChem CID2737467
Molecular FormulaC6H2BrCl3O2S
Molecular Weight324.41 g/mol
Exact Mass321.80
IUPAC Name2-bromo-4,6-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C6H2BrCl3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H
InChIKeyFWBOGDGDIZUVFT-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-dichlorobenzenesulfonyl chloride?
The IUPAC name of 2-bromo-4,6-dichlorobenzenesulfonyl chloride (CID 2737467) is 2-bromo-4,6-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4,6-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4,6-dichlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4,6-dichlorobenzenesulfonyl chloride?
The InChIKey is FWBOGDGDIZUVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H.
What are the key properties of 2-bromo-4,6-dichlorobenzenesulfonyl chloride?
2-bromo-4,6-dichlorobenzenesulfonyl chloride has a molecular weight of 324.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 2737467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).