2,4-dichloro-3-fluorobenzenesulfonyl chloride

C6H2Cl3FO2S — CID 56604728

IUPAC2,4-dichloro-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C6H2Cl3FO2S/c7-3-1-2-4(13(9,11)12)5(8)6(3)10/h1-2H
InChIKeyPPSZJQIIDGWZJG-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.06
Rot. Bonds1

About 2,4-dichloro-3-fluorobenzenesulfonyl chloride

2,4-dichloro-3-fluorobenzenesulfonyl chloride (PubChem CID 56604728) has the molecular formula C6H2Cl3FO2S and a molecular weight of 263.50 g/mol. Its IUPAC name is 2,4-dichloro-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-fluorobenzenesulfonyl chloride
PubChem CID56604728
Molecular FormulaC6H2Cl3FO2S
Molecular Weight263.50 g/mol
Exact Mass261.88
IUPAC Name2,4-dichloro-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C6H2Cl3FO2S/c7-3-1-2-4(13(9,11)12)5(8)6(3)10/h1-2H
InChIKeyPPSZJQIIDGWZJG-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-3-fluorobenzenesulfonyl chloride (CID 56604728) is 2,4-dichloro-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-3-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluorobenzenesulfonyl chloride?
The InChIKey is PPSZJQIIDGWZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3FO2S/c7-3-1-2-4(13(9,11)12)5(8)6(3)10/h1-2H.
What are the key properties of 2,4-dichloro-3-fluorobenzenesulfonyl chloride?
2,4-dichloro-3-fluorobenzenesulfonyl chloride has a molecular weight of 263.50 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 56604728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).