2,3,4,5-tetrafluorobenzenesulfonamide

C6H3F4NO2S — CID 22988483

IUPAC2,3,4,5-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6H3F4NO2S/c7-2-1-3(14(11,12)13)5(9)6(10)4(2)8/h1H,(H2,11,12,13)
InChIKeyMLOLPYYIGRPGAW-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.89
Rot. Bonds1

About 2,3,4,5-tetrafluorobenzenesulfonamide

2,3,4,5-tetrafluorobenzenesulfonamide (PubChem CID 22988483) has the molecular formula C6H3F4NO2S and a molecular weight of 229.15 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluorobenzenesulfonamide
PubChem CID22988483
Molecular FormulaC6H3F4NO2S
Molecular Weight229.15 g/mol
Exact Mass228.98
IUPAC Name2,3,4,5-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6H3F4NO2S/c7-2-1-3(14(11,12)13)5(9)6(10)4(2)8/h1H,(H2,11,12,13)
InChIKeyMLOLPYYIGRPGAW-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorobenzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluorobenzenesulfonamide (CID 22988483) is 2,3,4,5-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluorobenzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorobenzenesulfonamide?
The InChIKey is MLOLPYYIGRPGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO2S/c7-2-1-3(14(11,12)13)5(9)6(10)4(2)8/h1H,(H2,11,12,13).
What are the key properties of 2,3,4,5-tetrafluorobenzenesulfonamide?
2,3,4,5-tetrafluorobenzenesulfonamide has a molecular weight of 229.15 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 22988483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).