4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride

C6H2BrCl2FO2S — CID 50998066

IUPAC4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2FO2S/c7-3-1-4(8)6(5(10)2-3)13(9,11)12/h1-2H
InChIKeyOOEIVKMATRHTIS-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.17
Rot. Bonds1

About 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride

4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride (PubChem CID 50998066) has the molecular formula C6H2BrCl2FO2S and a molecular weight of 307.96 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
PubChem CID50998066
Molecular FormulaC6H2BrCl2FO2S
Molecular Weight307.96 g/mol
Exact Mass305.83
IUPAC Name4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2FO2S/c7-3-1-4(8)6(5(10)2-3)13(9,11)12/h1-2H
InChIKeyOOEIVKMATRHTIS-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride (CID 50998066) is 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1c(F)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride?
The InChIKey is OOEIVKMATRHTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2FO2S/c7-3-1-4(8)6(5(10)2-3)13(9,11)12/h1-2H.
What are the key properties of 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride?
4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride has a molecular weight of 307.96 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 50998066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).