4-fluorobenzenesulfonyl chloride

C6H4ClFO2S — CID 9588

IUPAC4-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1
InChIInChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKeyBFXHJFKKRGVUMU-UHFFFAOYSA-N
MW194.61 g/mol
LogP1.75
Rot. Bonds1

About 4-fluorobenzenesulfonyl chloride

4-fluorobenzenesulfonyl chloride (PubChem CID 9588) has the molecular formula C6H4ClFO2S and a molecular weight of 194.61 g/mol. Its IUPAC name is 4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluorobenzenesulfonyl chloride
PubChem CID9588
Molecular FormulaC6H4ClFO2S
Molecular Weight194.61 g/mol
Exact Mass193.96
IUPAC Name4-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1
InChIInChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKeyBFXHJFKKRGVUMU-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.61
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonyl chloride
CID 7369
Benzenesulfonamide
CID 7370
Benzenesulfonic Acid
CID 7371
4-Fluorobenzenesulfonamide
CID 120231
Chloramine B
CID 4347343
Benzenesulfonyl fluoride
CID 67779
Sodium benzenesulfonate
CID 517327
Methyl benzenesulfonate
CID 6630
p-chloromercuribenzenesulfonic acid sodium salt
CID 3653477
3-Fluorobenzenesulfonamide
CID 150924
2-Fluorobenzenesulfonamide
CID 193663
2,4-Difluorobenzenesulfonamide
CID 574964

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-fluorobenzenesulfonyl chloride (CID 9588) is 4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzenesulfonyl chloride?
The InChIKey is BFXHJFKKRGVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H.
What are the key properties of 4-fluorobenzenesulfonyl chloride?
4-fluorobenzenesulfonyl chloride has a molecular weight of 194.61 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 9588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).