3-bromo-4-chlorobenzenesulfonyl chloride

C6H3BrCl2O2S — CID 50999505

IUPAC3-bromo-4-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrCl2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H
InChIKeyWAKUMWHMHLMVPK-UHFFFAOYSA-N
MW289.97 g/mol
LogP3.03
Rot. Bonds1

About 3-bromo-4-chlorobenzenesulfonyl chloride

3-bromo-4-chlorobenzenesulfonyl chloride (PubChem CID 50999505) has the molecular formula C6H3BrCl2O2S and a molecular weight of 289.97 g/mol. Its IUPAC name is 3-bromo-4-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-chlorobenzenesulfonyl chloride
PubChem CID50999505
Molecular FormulaC6H3BrCl2O2S
Molecular Weight289.97 g/mol
Exact Mass287.84
IUPAC Name3-bromo-4-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrCl2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H
InChIKeyWAKUMWHMHLMVPK-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.97
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chlorobenzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-chlorobenzenesulfonyl chloride (CID 50999505) is 3-bromo-4-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-chlorobenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-chlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chlorobenzenesulfonyl chloride?
The InChIKey is WAKUMWHMHLMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H.
What are the key properties of 3-bromo-4-chlorobenzenesulfonyl chloride?
3-bromo-4-chlorobenzenesulfonyl chloride has a molecular weight of 289.97 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 50999505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).