2,5-dibromobenzenesulfonyl chloride

C6H3Br2ClO2S — CID 2737515

IUPAC2,5-dibromobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C6H3Br2ClO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKeyZLMPLIWURYRGEB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.14
Rot. Bonds1

About 2,5-dibromobenzenesulfonyl chloride

2,5-dibromobenzenesulfonyl chloride (PubChem CID 2737515) has the molecular formula C6H3Br2ClO2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,5-dibromobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dibromobenzenesulfonyl chloride
PubChem CID2737515
Molecular FormulaC6H3Br2ClO2S
Molecular Weight334.42 g/mol
Exact Mass331.79
IUPAC Name2,5-dibromobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C6H3Br2ClO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKeyZLMPLIWURYRGEB-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromobenzenesulfonyl chloride?
The IUPAC name of 2,5-dibromobenzenesulfonyl chloride (CID 2737515) is 2,5-dibromobenzenesulfonyl chloride.
What is the SMILES notation for 2,5-dibromobenzenesulfonyl chloride?
The canonical SMILES for 2,5-dibromobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromobenzenesulfonyl chloride?
The InChIKey is ZLMPLIWURYRGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H.
What are the key properties of 2,5-dibromobenzenesulfonyl chloride?
2,5-dibromobenzenesulfonyl chloride has a molecular weight of 334.42 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromobenzenesulfonyl chloride is sourced from PubChem (CID 2737515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).