4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide

C10H9N3O3S2 — CID 46703924

IUPAC4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-]
InChIInChI=1S/C10H9N3O3S2/c11-18(15,16)9-7-12-5-4-8(9)17-10-3-1-2-6-13(10)14/h1-7H,(H2,11,15,16)
InChIKeyDQAURQJZVIJAAO-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.51
Rot. Bonds3

About 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide

4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide (PubChem CID 46703924) has the molecular formula C10H9N3O3S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide
PubChem CID46703924
Molecular FormulaC10H9N3O3S2
Molecular Weight283.33 g/mol
Exact Mass283.01
IUPAC Name4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-]
InChIInChI=1S/C10H9N3O3S2/c11-18(15,16)9-7-12-5-4-8(9)17-10-3-1-2-6-13(10)14/h1-7H,(H2,11,15,16)
InChIKeyDQAURQJZVIJAAO-UHFFFAOYSA-N
XLogP0.51
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide?
The IUPAC name of 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide (CID 46703924) is 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide?
The canonical SMILES for 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-].
What is the InChIKey of 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide?
The InChIKey is DQAURQJZVIJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S2/c11-18(15,16)9-7-12-5-4-8(9)17-10-3-1-2-6-13(10)14/h1-7H,(H2,11,15,16).
What are the key properties of 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide?
4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 46703924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).