4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide

C13H10N2O4S — CID 44561036

IUPAC4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C#Cc2ccc(=O)n(O)c2)cc1
InChIInChI=1S/C13H10N2O4S/c14-20(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(16)15(17)9-11/h3-9,17H,(H2,14,18,19)
InChIKeyRQRWHGXVBONCGV-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.13
Rot. Bonds1

About 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide

4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide (PubChem CID 44561036) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide
PubChem CID44561036
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C#Cc2ccc(=O)n(O)c2)cc1
InChIInChI=1S/C13H10N2O4S/c14-20(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(16)15(17)9-11/h3-9,17H,(H2,14,18,19)
InChIKeyRQRWHGXVBONCGV-UHFFFAOYSA-N
XLogP0.13
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide?
The IUPAC name of 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide (CID 44561036) is 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C#Cc2ccc(=O)n(O)c2)cc1.
What is the InChIKey of 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide?
The InChIKey is RQRWHGXVBONCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c14-20(18,19)12-6-3-10(4-7-12)1-2-11-5-8-13(16)15(17)9-11/h3-9,17H,(H2,14,18,19).
What are the key properties of 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide?
4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide has a molecular weight of 290.30 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxy-6-oxo-3-pyridinyl)ethynyl]benzenesulfonamide is sourced from PubChem (CID 44561036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).