Sulfapyridine

C₁₁H₁₁N₃O₂S — CID 5336

About Sulfapyridine

Sulfapyridine (PubChem CID 5336) has the molecular formula C₁₁H₁₁N₃O₂S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-amino-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: Sulfapyridine
• PubChem CID: 5336
• Molecular Formula: C₁₁H₁₁N₃O₂S
• Molecular Weight: 249.30 g/mol
• Exact Mass: 249.06
• IUPAC Name: 4-amino-N-pyridin-2-ylbenzenesulfonamide
• SMILES: Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
• InChI: InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
• InChIKey: GECHUMIMRBOMGK-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 85.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.30
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sulfapyridine?

The IUPAC name of Sulfapyridine (CID 5336) is 4-amino-N-pyridin-2-ylbenzenesulfonamide.

What is the SMILES notation for Sulfapyridine?

The canonical SMILES for Sulfapyridine is Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.

What is the InChIKey of Sulfapyridine?

The InChIKey is GECHUMIMRBOMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14).

What are the key properties of Sulfapyridine?

Sulfapyridine has a molecular weight of 249.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfapyridine is sourced from PubChem (CID 5336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5336 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2524 — approved-drug record (CC BY-SA 4.0)

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