2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride

C12H6Cl2F2O3S — CID 87293128

IUPAC2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(F)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H6Cl2F2O3S/c13-7-1-3-9(4-2-7)19-12-10(16)5-8(15)6-11(12)20(14,17)18/h1-6H
InChIKeyYIGMSMJKDMCKFB-UHFFFAOYSA-N
MW339.15 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride

2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride (PubChem CID 87293128) has the molecular formula C12H6Cl2F2O3S and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride
PubChem CID87293128
Molecular FormulaC12H6Cl2F2O3S
Molecular Weight339.15 g/mol
Exact Mass337.94
IUPAC Name2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(F)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H6Cl2F2O3S/c13-7-1-3-9(4-2-7)19-12-10(16)5-8(15)6-11(12)20(14,17)18/h1-6H
InChIKeyYIGMSMJKDMCKFB-UHFFFAOYSA-N
XLogP4.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride (CID 87293128) is 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(F)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is YIGMSMJKDMCKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2O3S/c13-7-1-3-9(4-2-7)19-12-10(16)5-8(15)6-11(12)20(14,17)18/h1-6H.
What are the key properties of 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride?
2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 339.15 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 87293128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).