5-bromo-2-oxo-1H-pyridine-3-sulfonamide

C5H5BrN2O3S — CID 67055967

IUPAC5-bromo-2-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O3S/c6-3-1-4(12(7,10)11)5(9)8-2-3/h1-2H,(H,8,9)(H2,7,10,11)
InChIKeyQZVLCOXTFMBVCT-UHFFFAOYSA-N
MW253.08 g/mol
LogP-0.22
Rot. Bonds1

About 5-bromo-2-oxo-1H-pyridine-3-sulfonamide

5-bromo-2-oxo-1H-pyridine-3-sulfonamide (PubChem CID 67055967) has the molecular formula C5H5BrN2O3S and a molecular weight of 253.08 g/mol. Its IUPAC name is 5-bromo-2-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-oxo-1H-pyridine-3-sulfonamide
PubChem CID67055967
Molecular FormulaC5H5BrN2O3S
Molecular Weight253.08 g/mol
Exact Mass251.92
IUPAC Name5-bromo-2-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O3S/c6-3-1-4(12(7,10)11)5(9)8-2-3/h1-2H,(H,8,9)(H2,7,10,11)
InChIKeyQZVLCOXTFMBVCT-UHFFFAOYSA-N
XLogP-0.22
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-oxo-1H-pyridine-3-sulfonamide (CID 67055967) is 5-bromo-2-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-oxo-1H-pyridine-3-sulfonamide is NS(=O)(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-2-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is QZVLCOXTFMBVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O3S/c6-3-1-4(12(7,10)11)5(9)8-2-3/h1-2H,(H,8,9)(H2,7,10,11).
What are the key properties of 5-bromo-2-oxo-1H-pyridine-3-sulfonamide?
5-bromo-2-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 253.08 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 67055967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).