5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride

C6H2BrCl2FO2S — CID 56604734

IUPAC5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C6H2BrCl2FO2S/c7-3-1-6(13(9,11)12)5(10)2-4(3)8/h1-2H
InChIKeyPXPORJQFAPJYFL-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.17
Rot. Bonds1

About 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride

5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride (PubChem CID 56604734) has the molecular formula C6H2BrCl2FO2S and a molecular weight of 307.96 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
PubChem CID56604734
Molecular FormulaC6H2BrCl2FO2S
Molecular Weight307.96 g/mol
Exact Mass305.83
IUPAC Name5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C6H2BrCl2FO2S/c7-3-1-6(13(9,11)12)5(10)2-4(3)8/h1-2H
InChIKeyPXPORJQFAPJYFL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride (CID 56604734) is 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)c(Cl)cc1F.
What is the InChIKey of 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride?
The InChIKey is PXPORJQFAPJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2FO2S/c7-3-1-6(13(9,11)12)5(10)2-4(3)8/h1-2H.
What are the key properties of 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride?
5-bromo-4-chloro-2-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 5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 56604734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).