N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide

C10H8FN3O3S — CID 107595247

IUPACN-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1cc[nH]cc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C10H8FN3O3S/c11-7-5-12-3-1-8(7)14-18(16,17)10-6-13-4-2-9(10)15/h1-6H,(H,12,14)(H,13,15)
InChIKeyKEQVHFDKTLKOQM-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.71
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide

N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 107595247) has the molecular formula C10H8FN3O3S and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID107595247
Molecular FormulaC10H8FN3O3S
Molecular Weight269.26 g/mol
Exact Mass269.03
IUPAC NameN-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1cc[nH]cc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C10H8FN3O3S/c11-7-5-12-3-1-8(7)14-18(16,17)10-6-13-4-2-9(10)15/h1-6H,(H,12,14)(H,13,15)
InChIKeyKEQVHFDKTLKOQM-UHFFFAOYSA-N
XLogP0.71
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide (CID 107595247) is N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide is O=c1cc[nH]cc1S(=O)(=O)Nc1ccncc1F.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is KEQVHFDKTLKOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3S/c11-7-5-12-3-1-8(7)14-18(16,17)10-6-13-4-2-9(10)15/h1-6H,(H,12,14)(H,13,15).
What are the key properties of N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 269.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 107595247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).