6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide

C7H7F3N2O4S — CID 107858257

IUPAC6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NOCC(F)(F)F)c[nH]1
InChIInChI=1S/C7H7F3N2O4S/c8-7(9,10)4-16-12-17(14,15)5-1-2-6(13)11-3-5/h1-3,12H,4H2,(H,11,13)
InChIKeyYXGGTTVEFZBAIR-UHFFFAOYSA-N
MW272.20 g/mol
LogP0.15
Rot. Bonds4

About 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide

6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide (PubChem CID 107858257) has the molecular formula C7H7F3N2O4S and a molecular weight of 272.20 g/mol. Its IUPAC name is 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide
PubChem CID107858257
Molecular FormulaC7H7F3N2O4S
Molecular Weight272.20 g/mol
Exact Mass272.01
IUPAC Name6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NOCC(F)(F)F)c[nH]1
InChIInChI=1S/C7H7F3N2O4S/c8-7(9,10)4-16-12-17(14,15)5-1-2-6(13)11-3-5/h1-3,12H,4H2,(H,11,13)
InChIKeyYXGGTTVEFZBAIR-UHFFFAOYSA-N
XLogP0.15
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide (CID 107858257) is 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NOCC(F)(F)F)c[nH]1.
What is the InChIKey of 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide?
The InChIKey is YXGGTTVEFZBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4S/c8-7(9,10)4-16-12-17(14,15)5-1-2-6(13)11-3-5/h1-3,12H,4H2,(H,11,13).
What are the key properties of 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide?
6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide has a molecular weight of 272.20 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,2,2-trifluoroethoxy)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 107858257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).