3-bromo-4-hydroxybenzenesulfonyl chloride

C6H4BrClO3S — CID 79018057

IUPAC3-bromo-4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)c(Br)c1
InChIInChI=1S/C6H4BrClO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H
InChIKeySTKYSOLBHOVRHO-UHFFFAOYSA-N
MW271.52 g/mol
LogP2.08
Rot. Bonds1

About 3-bromo-4-hydroxybenzenesulfonyl chloride

3-bromo-4-hydroxybenzenesulfonyl chloride (PubChem CID 79018057) has the molecular formula C6H4BrClO3S and a molecular weight of 271.52 g/mol. Its IUPAC name is 3-bromo-4-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-hydroxybenzenesulfonyl chloride
PubChem CID79018057
Molecular FormulaC6H4BrClO3S
Molecular Weight271.52 g/mol
Exact Mass269.88
IUPAC Name3-bromo-4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)c(Br)c1
InChIInChI=1S/C6H4BrClO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H
InChIKeySTKYSOLBHOVRHO-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 3-bromo-4-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-hydroxybenzenesulfonyl chloride (CID 79018057) is 3-bromo-4-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(O)c(Br)c1.
What is the InChIKey of 3-bromo-4-hydroxybenzenesulfonyl chloride?
The InChIKey is STKYSOLBHOVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H.
What are the key properties of 3-bromo-4-hydroxybenzenesulfonyl chloride?
3-bromo-4-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 3-bromo-4-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 79018057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).