Sulfamerazine

C₁₁H₁₂N₄O₂S — CID 5325

About Sulfamerazine

Sulfamerazine (PubChem CID 5325) has the molecular formula C₁₁H₁₂N₄O₂S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfamerazine
• PubChem CID: 5325
• Molecular Formula: C₁₁H₁₂N₄O₂S
• Molecular Weight: 264.31 g/mol
• Exact Mass: 264.07
• IUPAC Name: 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
• SMILES: Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
• InChI: InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
• InChIKey: QPPBRPIAZZHUNT-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 97.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.31
LogP ≤ 5	1.17
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 Sulfamerazine?

The IUPAC name of Sulfamerazine (CID 5325) is 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

What is the SMILES notation for Sulfamerazine?

The canonical SMILES for Sulfamerazine is Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1.

What is the InChIKey of Sulfamerazine?

The InChIKey is QPPBRPIAZZHUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15).

What are the key properties of Sulfamerazine?

Sulfamerazine has a molecular weight of 264.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfamerazine is sourced from PubChem (CID 5325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5325 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2510 — approved-drug record (CC BY-SA 4.0)

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