2,4-difluorobenzenesulfonamide

C6H5F2NO2S — CID 574964

IUPAC2,4-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyPTHLPYKPCQLAOF-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.61
Rot. Bonds1

About 2,4-difluorobenzenesulfonamide

2,4-difluorobenzenesulfonamide (PubChem CID 574964) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluorobenzenesulfonamide
PubChem CID574964
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name2,4-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyPTHLPYKPCQLAOF-UHFFFAOYSA-N
XLogP0.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluorobenzenesulfonamide?
The IUPAC name of 2,4-difluorobenzenesulfonamide (CID 574964) is 2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 2,4-difluorobenzenesulfonamide?
The canonical SMILES for 2,4-difluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorobenzenesulfonamide?
The InChIKey is PTHLPYKPCQLAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 2,4-difluorobenzenesulfonamide?
2,4-difluorobenzenesulfonamide has a molecular weight of 193.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 574964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).