2-chloro-4-fluorobenzenesulfonyl chloride

C6H3Cl2FO2S — CID 522846

IUPAC2-chloro-4-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
InChIKeyFCFPJKHVCHKCMP-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.41
Rot. Bonds1

About 2-chloro-4-fluorobenzenesulfonyl chloride

2-chloro-4-fluorobenzenesulfonyl chloride (PubChem CID 522846) has the molecular formula C6H3Cl2FO2S and a molecular weight of 229.06 g/mol. Its IUPAC name is 2-chloro-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-fluorobenzenesulfonyl chloride
PubChem CID522846
Molecular FormulaC6H3Cl2FO2S
Molecular Weight229.06 g/mol
Exact Mass227.92
IUPAC Name2-chloro-4-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
InChIKeyFCFPJKHVCHKCMP-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-fluorobenzenesulfonyl chloride (CID 522846) is 2-chloro-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluorobenzenesulfonyl chloride?
The InChIKey is FCFPJKHVCHKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H.
What are the key properties of 2-chloro-4-fluorobenzenesulfonyl chloride?
2-chloro-4-fluorobenzenesulfonyl chloride has a molecular weight of 229.06 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 522846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).