Sulfamethazine

C₁₂H₁₄N₄O₂S — CID 5327

About Sulfamethazine

Sulfamethazine (PubChem CID 5327) has the molecular formula C₁₂H₁₄N₄O₂S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfamethazine
• PubChem CID: 5327
• Molecular Formula: C₁₂H₁₄N₄O₂S
• Molecular Weight: 278.34 g/mol
• Exact Mass: 278.08
• IUPAC Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
• SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
• InChI: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: ASWVTGNCAZCNNR-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 97.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.34
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sulfamethazine?

The IUPAC name of Sulfamethazine (CID 5327) is 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

What is the SMILES notation for Sulfamethazine?

The canonical SMILES for Sulfamethazine is Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.

What is the InChIKey of Sulfamethazine?

The InChIKey is ASWVTGNCAZCNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16).

What are the key properties of Sulfamethazine?

Sulfamethazine has a molecular weight of 278.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfamethazine is sourced from PubChem (CID 5327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5327 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2502 — approved-drug record (CC BY-SA 4.0)

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