Sulfamonomethoxine

C₁₁H₁₂N₄O₃S — CID 5332

About Sulfamonomethoxine

Sulfamonomethoxine (PubChem CID 5332) has the molecular formula C₁₁H₁₂N₄O₃S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfamonomethoxine
• PubChem CID: 5332
• Molecular Formula: C₁₁H₁₂N₄O₃S
• Molecular Weight: 280.31 g/mol
• Exact Mass: 280.06
• IUPAC Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
• SMILES: COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1
• InChI: InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
• InChIKey: WMPXPUYPYQKQCX-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 107.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.31
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sulfamonomethoxine?

The IUPAC name of Sulfamonomethoxine (CID 5332) is 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide.

What is the SMILES notation for Sulfamonomethoxine?

The canonical SMILES for Sulfamonomethoxine is COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1.

What is the InChIKey of Sulfamonomethoxine?

The InChIKey is WMPXPUYPYQKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15).

What are the key properties of Sulfamonomethoxine?

Sulfamonomethoxine has a molecular weight of 280.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfamonomethoxine is sourced from PubChem (CID 5332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5332 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2519 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.