Sulfamoxole

C₁₁H₁₃N₃O₃S — CID 12894

About Sulfamoxole

Sulfamoxole (PubChem CID 12894) has the molecular formula C₁₁H₁₃N₃O₃S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfamoxole
• PubChem CID: 12894
• Molecular Formula: C₁₁H₁₃N₃O₃S
• Molecular Weight: 267.31 g/mol
• Exact Mass: 267.07
• IUPAC Name: 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide
• SMILES: Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C
• InChI: InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
• InChIKey: CYFLXLSBHQBMFT-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 98.22 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	267.31
LogP ≤ 5	1.67
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 Sulfamoxole?

The IUPAC name of Sulfamoxole (CID 12894) is 4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide.

What is the SMILES notation for Sulfamoxole?

The canonical SMILES for Sulfamoxole is Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C.

What is the InChIKey of Sulfamoxole?

The InChIKey is CYFLXLSBHQBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14).

What are the key properties of Sulfamoxole?

Sulfamoxole has a molecular weight of 267.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfamoxole is sourced from PubChem (CID 12894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12894 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2520 — approved-drug record (CC BY-SA 4.0)

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