4-bromo-3-fluorobenzenesulfonyl chloride

C6H3BrClFO2S — CID 2778218

IUPAC4-bromo-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C6H3BrClFO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H
InChIKeyIZCXVIACMHTZNA-UHFFFAOYSA-N
MW273.51 g/mol
LogP2.52
Rot. Bonds1

About 4-bromo-3-fluorobenzenesulfonyl chloride

4-bromo-3-fluorobenzenesulfonyl chloride (PubChem CID 2778218) has the molecular formula C6H3BrClFO2S and a molecular weight of 273.51 g/mol. Its IUPAC name is 4-bromo-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-fluorobenzenesulfonyl chloride
PubChem CID2778218
Molecular FormulaC6H3BrClFO2S
Molecular Weight273.51 g/mol
Exact Mass271.87
IUPAC Name4-bromo-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C6H3BrClFO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H
InChIKeyIZCXVIACMHTZNA-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 4-bromo-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-fluorobenzenesulfonyl chloride (CID 2778218) is 4-bromo-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluorobenzenesulfonyl chloride?
The InChIKey is IZCXVIACMHTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H.
What are the key properties of 4-bromo-3-fluorobenzenesulfonyl chloride?
4-bromo-3-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 4-bromo-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 2778218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).