Sulfadimethoxine

C₁₂H₁₄N₄O₄S — CID 5323

About Sulfadimethoxine

Sulfadimethoxine (PubChem CID 5323) has the molecular formula C₁₂H₁₄N₄O₄S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfadimethoxine
• PubChem CID: 5323
• Molecular Formula: C₁₂H₁₄N₄O₄S
• Molecular Weight: 310.34 g/mol
• Exact Mass: 310.07
• IUPAC Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
• SMILES: COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
• InChI: InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: ZZORFUFYDOWNEF-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.34
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sulfadimethoxine?

The IUPAC name of Sulfadimethoxine (CID 5323) is 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide.

What is the SMILES notation for Sulfadimethoxine?

The canonical SMILES for Sulfadimethoxine is COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1.

What is the InChIKey of Sulfadimethoxine?

The InChIKey is ZZORFUFYDOWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16).

What are the key properties of Sulfadimethoxine?

Sulfadimethoxine has a molecular weight of 310.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfadimethoxine is sourced from PubChem (CID 5323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5323 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2501 — approved-drug record (CC BY-SA 4.0)

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