4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide

C8H8F4N2O3S — CID 106293636

IUPAC4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
SMILESO=c1cc[nH]cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2O3S/c9-7(10)8(11,12)4-14-18(16,17)6-3-13-2-1-5(6)15/h1-3,7,14H,4H2,(H,13,15)
InChIKeyMQAUJWPXIJMRLR-UHFFFAOYSA-N
MW288.22 g/mol
LogP0.55
Rot. Bonds5

About 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide

4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide (PubChem CID 106293636) has the molecular formula C8H8F4N2O3S and a molecular weight of 288.22 g/mol. Its IUPAC name is 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
PubChem CID106293636
Molecular FormulaC8H8F4N2O3S
Molecular Weight288.22 g/mol
Exact Mass288.02
IUPAC Name4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
SMILESO=c1cc[nH]cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2O3S/c9-7(10)8(11,12)4-14-18(16,17)6-3-13-2-1-5(6)15/h1-3,7,14H,4H2,(H,13,15)
InChIKeyMQAUJWPXIJMRLR-UHFFFAOYSA-N
XLogP0.55
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114618261
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
CID 106292510
N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 81178508
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 106352667
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293639
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295786
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123019
3-tert-butylsulfonyl-1H-pyridin-4-one
CID 54484408
4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 103577915

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide (CID 106293636) is 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide is O=c1cc[nH]cc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
The InChIKey is MQAUJWPXIJMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O3S/c9-7(10)8(11,12)4-14-18(16,17)6-3-13-2-1-5(6)15/h1-3,7,14H,4H2,(H,13,15).
What are the key properties of 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide has a molecular weight of 288.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106293636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).