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

C6H2BrCl2FO2S — CID 50998006

IUPAC2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C6H2BrCl2FO2S/c7-4-1-3(8)2-5(10)6(4)13(9,11)12/h1-2H
InChIKeyKLRBGQKJABYJJP-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.17
Rot. Bonds1

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

2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride (PubChem CID 50998006) has the molecular formula C6H2BrCl2FO2S and a molecular weight of 307.96 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
PubChem CID50998006
Molecular FormulaC6H2BrCl2FO2S
Molecular Weight307.96 g/mol
Exact Mass305.83
IUPAC Name2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C6H2BrCl2FO2S/c7-4-1-3(8)2-5(10)6(4)13(9,11)12/h1-2H
InChIKeyKLRBGQKJABYJJP-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 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride (CID 50998006) is 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1c(F)cc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride?
The InChIKey is KLRBGQKJABYJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2FO2S/c7-4-1-3(8)2-5(10)6(4)13(9,11)12/h1-2H.
What are the key properties of 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride?
2-bromo-4-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 2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 50998006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).