1-oxidopyridin-1-ium-3-sulfonamide

C5H6N2O3S — CID 12684277

IUPAC1-oxidopyridin-1-ium-3-sulfonamide
SMILESNS(=O)(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C5H6N2O3S/c6-11(9,10)5-2-1-3-7(8)4-5/h1-4H,(H2,6,9,10)
InChIKeyQHQOLLFVVFUJSY-UHFFFAOYSA-N
MW174.18 g/mol
LogP-1.03
Rot. Bonds1

About 1-oxidopyridin-1-ium-3-sulfonamide

1-oxidopyridin-1-ium-3-sulfonamide (PubChem CID 12684277) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound Name1-oxidopyridin-1-ium-3-sulfonamide
PubChem CID12684277
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name1-oxidopyridin-1-ium-3-sulfonamide
SMILESNS(=O)(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C5H6N2O3S/c6-11(9,10)5-2-1-3-7(8)4-5/h1-4H,(H2,6,9,10)
InChIKeyQHQOLLFVVFUJSY-UHFFFAOYSA-N
XLogP-1.03
TPSA87.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
1-oxidopyridin-1-ium-3-amine;hydrochloride
CID 86676284
6-methyl-1-oxidopyridin-1-ium-3-sulfonamide
CID 45080606
disodium;benzenesulfonamide;hydride
CID 174402178
1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
CID 16961374
benzenesulfonamide;methanol
CID 23223292
benzenesulfonamide;2-methylpropane
CID 157350693
1-oxido-3-[1,2,2-tris(1-oxidopyridin-1-ium-3-yl)ethenyl]pyridin-1-ium
CID 177451297
benzenesulfonamide;boric acid
CID 160795607
CID 159358457
CID 159358457
benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
CID 174977525
4-[4-(benzenesulfonyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]benzenesulfonamide
CID 118705782

Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium-3-sulfonamide?
The IUPAC name of 1-oxidopyridin-1-ium-3-sulfonamide (CID 12684277) is 1-oxidopyridin-1-ium-3-sulfonamide.
What is the SMILES notation for 1-oxidopyridin-1-ium-3-sulfonamide?
The canonical SMILES for 1-oxidopyridin-1-ium-3-sulfonamide is NS(=O)(=O)c1ccc[n+]([O-])c1.
What is the InChIKey of 1-oxidopyridin-1-ium-3-sulfonamide?
The InChIKey is QHQOLLFVVFUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-11(9,10)5-2-1-3-7(8)4-5/h1-4H,(H2,6,9,10).
What are the key properties of 1-oxidopyridin-1-ium-3-sulfonamide?
1-oxidopyridin-1-ium-3-sulfonamide has a molecular weight of 174.18 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 12684277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).