2-oxo-1H-pyridine-4-sulfonyl fluoride

C5H4FNO3S — CID 138987548

IUPAC2-oxo-1H-pyridine-4-sulfonyl fluoride
SMILESO=c1cc(S(=O)(=O)F)cc[nH]1
InChIInChI=1S/C5H4FNO3S/c6-11(9,10)4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeySQXNBXUDLWNDCC-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.03
Rot. Bonds1

About 2-oxo-1H-pyridine-4-sulfonyl fluoride

2-oxo-1H-pyridine-4-sulfonyl fluoride (PubChem CID 138987548) has the molecular formula C5H4FNO3S and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-4-sulfonyl fluoride.

Molecular Properties

Compound Name2-oxo-1H-pyridine-4-sulfonyl fluoride
PubChem CID138987548
Molecular FormulaC5H4FNO3S
Molecular Weight177.16 g/mol
Exact Mass176.99
IUPAC Name2-oxo-1H-pyridine-4-sulfonyl fluoride
SMILESO=c1cc(S(=O)(=O)F)cc[nH]1
InChIInChI=1S/C5H4FNO3S/c6-11(9,10)4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKeySQXNBXUDLWNDCC-UHFFFAOYSA-N
XLogP0.03
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-4-sulfonyl fluoride?
The IUPAC name of 2-oxo-1H-pyridine-4-sulfonyl fluoride (CID 138987548) is 2-oxo-1H-pyridine-4-sulfonyl fluoride.
What is the SMILES notation for 2-oxo-1H-pyridine-4-sulfonyl fluoride?
The canonical SMILES for 2-oxo-1H-pyridine-4-sulfonyl fluoride is O=c1cc(S(=O)(=O)F)cc[nH]1.
What is the InChIKey of 2-oxo-1H-pyridine-4-sulfonyl fluoride?
The InChIKey is SQXNBXUDLWNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3S/c6-11(9,10)4-1-2-7-5(8)3-4/h1-3H,(H,7,8).
What are the key properties of 2-oxo-1H-pyridine-4-sulfonyl fluoride?
2-oxo-1H-pyridine-4-sulfonyl fluoride has a molecular weight of 177.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-4-sulfonyl fluoride is sourced from PubChem (CID 138987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).