4-chloro-2-fluorobenzenesulfonyl chloride

C6H3Cl2FO2S — CID 2778860

IUPAC4-chloro-2-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)cc1F
InChIInChI=1S/C6H3Cl2FO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H
InChIKeyZFZRENUEJCOCRE-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.41
Rot. Bonds1

About 4-chloro-2-fluorobenzenesulfonyl chloride

4-chloro-2-fluorobenzenesulfonyl chloride (PubChem CID 2778860) has the molecular formula C6H3Cl2FO2S and a molecular weight of 229.06 g/mol. Its IUPAC name is 4-chloro-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-fluorobenzenesulfonyl chloride
PubChem CID2778860
Molecular FormulaC6H3Cl2FO2S
Molecular Weight229.06 g/mol
Exact Mass227.92
IUPAC Name4-chloro-2-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)cc1F
InChIInChI=1S/C6H3Cl2FO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H
InChIKeyZFZRENUEJCOCRE-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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Related Compounds

4-Chlorobenzenesulfonamide
CID 66824
p-Chlorobenzenesulfonic acid
CID 7400
1-Chloro-4-(methylsulfonyl)benzene
CID 7395
Benzenesulfonyl fluoride, p-chloro-
CID 94992
4-Chlorobenzenesulfonyl chloride
CID 7398
4-Chlorobenzenesulfinic acid
CID 66847
2,5-Dichlorobenzenesulfonyl chloride
CID 79401
2-Chlorobenzenesulfonyl chloride
CID 76187
2,6-Dichlorobenzenesulfonylchloride
CID 522183
Sodium 4-chlorobenzenesulfinate
CID 23664783
Benzenesulfonyl chloride, 2,4-dichloro-
CID 204419
Sodium p-chlorobenzenesulfonate
CID 517331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-fluorobenzenesulfonyl chloride (CID 2778860) is 4-chloro-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluorobenzenesulfonyl chloride?
The InChIKey is ZFZRENUEJCOCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H.
What are the key properties of 4-chloro-2-fluorobenzenesulfonyl chloride?
4-chloro-2-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 4-chloro-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 2778860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).