1-oxidopyridin-1-ium-2-sulfonamide

C5H6N2O3S — CID 15417762

IUPAC1-oxidopyridin-1-ium-2-sulfonamide
SMILESNS(=O)(=O)c1cccc[n+]1[O-]
InChIInChI=1S/C5H6N2O3S/c6-11(9,10)5-3-1-2-4-7(5)8/h1-4H,(H2,6,9,10)
InChIKeyCPCOWTPLEJOHAC-UHFFFAOYSA-N
MW174.18 g/mol
LogP-1.03
Rot. Bonds1

About 1-oxidopyridin-1-ium-2-sulfonamide

1-oxidopyridin-1-ium-2-sulfonamide (PubChem CID 15417762) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium-2-sulfonamide.

Molecular Properties

Compound Name1-oxidopyridin-1-ium-2-sulfonamide
PubChem CID15417762
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name1-oxidopyridin-1-ium-2-sulfonamide
SMILESNS(=O)(=O)c1cccc[n+]1[O-]
InChIInChI=1S/C5H6N2O3S/c6-11(9,10)5-3-1-2-4-7(5)8/h1-4H,(H2,6,9,10)
InChIKeyCPCOWTPLEJOHAC-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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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium-2-sulfonamide?
The IUPAC name of 1-oxidopyridin-1-ium-2-sulfonamide (CID 15417762) is 1-oxidopyridin-1-ium-2-sulfonamide.
What is the SMILES notation for 1-oxidopyridin-1-ium-2-sulfonamide?
The canonical SMILES for 1-oxidopyridin-1-ium-2-sulfonamide is NS(=O)(=O)c1cccc[n+]1[O-].
What is the InChIKey of 1-oxidopyridin-1-ium-2-sulfonamide?
The InChIKey is CPCOWTPLEJOHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-11(9,10)5-3-1-2-4-7(5)8/h1-4H,(H2,6,9,10).
What are the key properties of 1-oxidopyridin-1-ium-2-sulfonamide?
1-oxidopyridin-1-ium-2-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-2-sulfonamide is sourced from PubChem (CID 15417762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).