4-bromo-3-hydroxybenzenesulfonyl chloride

C6H4BrClO3S — CID 84809433

IUPAC4-bromo-3-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(O)c1
InChIInChI=1S/C6H4BrClO3S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3,9H
InChIKeyTVDJJMXGNZPDNP-UHFFFAOYSA-N
MW271.52 g/mol
LogP2.08
Rot. Bonds1

About 4-bromo-3-hydroxybenzenesulfonyl chloride

4-bromo-3-hydroxybenzenesulfonyl chloride (PubChem CID 84809433) has the molecular formula C6H4BrClO3S and a molecular weight of 271.52 g/mol. Its IUPAC name is 4-bromo-3-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-hydroxybenzenesulfonyl chloride
PubChem CID84809433
Molecular FormulaC6H4BrClO3S
Molecular Weight271.52 g/mol
Exact Mass269.88
IUPAC Name4-bromo-3-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(O)c1
InChIInChI=1S/C6H4BrClO3S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3,9H
InChIKeyTVDJJMXGNZPDNP-UHFFFAOYSA-N
XLogP2.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-hydroxybenzenesulfonyl chloride (CID 84809433) is 4-bromo-3-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxybenzenesulfonyl chloride?
The InChIKey is TVDJJMXGNZPDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO3S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3,9H.
What are the key properties of 4-bromo-3-hydroxybenzenesulfonyl chloride?
4-bromo-3-hydroxybenzenesulfonyl chloride has a molecular weight of 271.52 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84809433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).