3-bromo-5-fluorobenzenesulfonyl chloride

C6H3BrClFO2S — CID 51000079

IUPAC3-bromo-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(Br)c1
InChIInChI=1S/C6H3BrClFO2S/c7-4-1-5(9)3-6(2-4)12(8,10)11/h1-3H
InChIKeyHZJBQCUMWMMHMK-UHFFFAOYSA-N
MW273.51 g/mol
LogP2.52
Rot. Bonds1

About 3-bromo-5-fluorobenzenesulfonyl chloride

3-bromo-5-fluorobenzenesulfonyl chloride (PubChem CID 51000079) has the molecular formula C6H3BrClFO2S and a molecular weight of 273.51 g/mol. Its IUPAC name is 3-bromo-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-5-fluorobenzenesulfonyl chloride
PubChem CID51000079
Molecular FormulaC6H3BrClFO2S
Molecular Weight273.51 g/mol
Exact Mass271.87
IUPAC Name3-bromo-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(Br)c1
InChIInChI=1S/C6H3BrClFO2S/c7-4-1-5(9)3-6(2-4)12(8,10)11/h1-3H
InChIKeyHZJBQCUMWMMHMK-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-bromo-5-fluorobenzenesulfonyl chloride (CID 51000079) is 3-bromo-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluorobenzenesulfonyl chloride?
The InChIKey is HZJBQCUMWMMHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFO2S/c7-4-1-5(9)3-6(2-4)12(8,10)11/h1-3H.
What are the key properties of 3-bromo-5-fluorobenzenesulfonyl chloride?
3-bromo-5-fluorobenzenesulfonyl chloride has a molecular weight of 273.51 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 51000079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).