2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide

C8H5F4NO4S — CID 124928506

IUPAC2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C8H5F4NO4S/c9-7(10)8(11,12)17-6-3-4(18(13,14)15)1-2-5(6)16-7/h1-3H,(H2,13,14,15)
InChIKeyZFTVGVRPBMFKDX-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.29
Rot. Bonds1

About 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide

2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide (PubChem CID 124928506) has the molecular formula C8H5F4NO4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide
PubChem CID124928506
Molecular FormulaC8H5F4NO4S
Molecular Weight287.19 g/mol
Exact Mass286.99
IUPAC Name2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C8H5F4NO4S/c9-7(10)8(11,12)17-6-3-4(18(13,14)15)1-2-5(6)16-7/h1-3H,(H2,13,14,15)
InChIKeyZFTVGVRPBMFKDX-UHFFFAOYSA-N
XLogP1.29
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-benzodioxine-6-sulfonamide
CID 23358140
2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride
CID 22500053
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide
CID 47013774
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
benzene-1,3-disulfonamide
CID 3090044
1-(3-bromo-4-fluorophenyl)-2-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethane-1,2-dione
CID 87727954
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
3-methyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-2H-pyridin-6-amine
CID 173241255
4-N-fluorobenzene-1,4-disulfonamide
CID 175065506
2,2,3,3-tetrafluoro-6-(isocyanatomethyl)-1,4-benzodioxine
CID 117411793

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide (CID 124928506) is 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.
What is the InChIKey of 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ZFTVGVRPBMFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO4S/c9-7(10)8(11,12)17-6-3-4(18(13,14)15)1-2-5(6)16-7/h1-3H,(H2,13,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide?
2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 287.19 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 124928506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).