Sulfisomidine

C₁₂H₁₄N₄O₂S — CID 5343

About Sulfisomidine

Sulfisomidine (PubChem CID 5343) has the molecular formula C₁₂H₁₄N₄O₂S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfisomidine
• PubChem CID: 5343
• Molecular Formula: C₁₂H₁₄N₄O₂S
• Molecular Weight: 278.34 g/mol
• Exact Mass: 278.08
• IUPAC Name: 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
• SMILES: Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
• InChI: InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: YZMCKZRAOLZXAZ-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 Sulfisomidine?

The IUPAC name of Sulfisomidine (CID 5343) is 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide.

What is the SMILES notation for Sulfisomidine?

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

What is the InChIKey of Sulfisomidine?

The InChIKey is YZMCKZRAOLZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)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 Sulfisomidine?

Sulfisomidine 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 Sulfisomidine is sourced from PubChem (CID 5343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5343 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2526 — approved-drug record (CC BY-SA 4.0)

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