3,4-difluorobenzenesulfonamide

C6H5F2NO2S — CID 822865

IUPAC3,4-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyVFVVRYNJTGHAIE-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.61
Rot. Bonds1

About 3,4-difluorobenzenesulfonamide

3,4-difluorobenzenesulfonamide (PubChem CID 822865) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3,4-difluorobenzenesulfonamide
PubChem CID822865
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name3,4-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyVFVVRYNJTGHAIE-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 3,4-difluorobenzenesulfonamide?
The IUPAC name of 3,4-difluorobenzenesulfonamide (CID 822865) is 3,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3,4-difluorobenzenesulfonamide?
The canonical SMILES for 3,4-difluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluorobenzenesulfonamide?
The InChIKey is VFVVRYNJTGHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 3,4-difluorobenzenesulfonamide?
3,4-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 3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 822865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).