3,4-dibromobenzenesulfonyl chloride

C6H3Br2ClO2S — CID 2758032

IUPAC3,4-dibromobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(Br)c1
InChIInChI=1S/C6H3Br2ClO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKeyPBCQAUMKUSTMJD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.14
Rot. Bonds1

About 3,4-dibromobenzenesulfonyl chloride

3,4-dibromobenzenesulfonyl chloride (PubChem CID 2758032) has the molecular formula C6H3Br2ClO2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 3,4-dibromobenzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-dibromobenzenesulfonyl chloride
PubChem CID2758032
Molecular FormulaC6H3Br2ClO2S
Molecular Weight334.42 g/mol
Exact Mass331.79
IUPAC Name3,4-dibromobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(Br)c1
InChIInChI=1S/C6H3Br2ClO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKeyPBCQAUMKUSTMJD-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 3,4-dibromobenzenesulfonyl chloride?
The IUPAC name of 3,4-dibromobenzenesulfonyl chloride (CID 2758032) is 3,4-dibromobenzenesulfonyl chloride.
What is the SMILES notation for 3,4-dibromobenzenesulfonyl chloride?
The canonical SMILES for 3,4-dibromobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c(Br)c1.
What is the InChIKey of 3,4-dibromobenzenesulfonyl chloride?
The InChIKey is PBCQAUMKUSTMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H.
What are the key properties of 3,4-dibromobenzenesulfonyl chloride?
3,4-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 3,4-dibromobenzenesulfonyl chloride is sourced from PubChem (CID 2758032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).