6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide

C11H6F4N2O3S — CID 107642714

IUPAC6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c[nH]1
InChIInChI=1S/C11H6F4N2O3S/c12-6-3-7(13)10(15)11(9(6)14)17-21(19,20)5-1-2-8(18)16-4-5/h1-4,17H,(H,16,18)
InChIKeyUZSFNNRZKMXXLH-UHFFFAOYSA-N
MW322.24 g/mol
LogP1.73
Rot. Bonds3

About 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide

6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide (PubChem CID 107642714) has the molecular formula C11H6F4N2O3S and a molecular weight of 322.24 g/mol. Its IUPAC name is 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
PubChem CID107642714
Molecular FormulaC11H6F4N2O3S
Molecular Weight322.24 g/mol
Exact Mass322.00
IUPAC Name6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c[nH]1
InChIInChI=1S/C11H6F4N2O3S/c12-6-3-7(13)10(15)11(9(6)14)17-21(19,20)5-1-2-8(18)16-4-5/h1-4,17H,(H,16,18)
InChIKeyUZSFNNRZKMXXLH-UHFFFAOYSA-N
XLogP1.73
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170
N-(2,3-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61075597
N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102854641
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274022
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
N-methoxy-6-oxo-1H-pyridine-3-sulfonamide
CID 107858243
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249942
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide (CID 107642714) is 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c[nH]1.
What is the InChIKey of 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide?
The InChIKey is UZSFNNRZKMXXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O3S/c12-6-3-7(13)10(15)11(9(6)14)17-21(19,20)5-1-2-8(18)16-4-5/h1-4,17H,(H,16,18).
What are the key properties of 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide has a molecular weight of 322.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 107642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).