5-chloro-2,4-difluorobenzenesulfonyl chloride

C6H2Cl2F2O2S — CID 2773527

IUPAC5-chloro-2,4-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C6H2Cl2F2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H
InChIKeyXMNXVDULKLCZFG-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.55
Rot. Bonds1

About 5-chloro-2,4-difluorobenzenesulfonyl chloride

5-chloro-2,4-difluorobenzenesulfonyl chloride (PubChem CID 2773527) has the molecular formula C6H2Cl2F2O2S and a molecular weight of 247.05 g/mol. Its IUPAC name is 5-chloro-2,4-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2,4-difluorobenzenesulfonyl chloride
PubChem CID2773527
Molecular FormulaC6H2Cl2F2O2S
Molecular Weight247.05 g/mol
Exact Mass245.91
IUPAC Name5-chloro-2,4-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C6H2Cl2F2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H
InChIKeyXMNXVDULKLCZFG-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 52.55
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-chloro-2,4-difluorobenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2,4-difluorobenzenesulfonyl chloride (CID 2773527) is 5-chloro-2,4-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2,4-difluorobenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2,4-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 5-chloro-2,4-difluorobenzenesulfonyl chloride?
The InChIKey is XMNXVDULKLCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H.
What are the key properties of 5-chloro-2,4-difluorobenzenesulfonyl chloride?
5-chloro-2,4-difluorobenzenesulfonyl chloride has a molecular weight of 247.05 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 2773527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).