Sulfaethidole

C₁₀H₁₂N₄O₂S₂ — CID 7181

About Sulfaethidole

Sulfaethidole (PubChem CID 7181) has the molecular formula C₁₀H₁₂N₄O₂S₂ and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: Sulfaethidole
• PubChem CID: 7181
• Molecular Formula: C₁₀H₁₂N₄O₂S₂
• Molecular Weight: 284.37 g/mol
• Exact Mass: 284.04
• IUPAC Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
• SMILES: CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
• InChI: InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)
• InChIKey: SVYBEBLNQGDRHF-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 97.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.37
LogP ≤ 5	1.48
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 Sulfaethidole?

The IUPAC name of Sulfaethidole (CID 7181) is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for Sulfaethidole?

The canonical SMILES for Sulfaethidole is CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.

What is the InChIKey of Sulfaethidole?

The InChIKey is SVYBEBLNQGDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14).

What are the key properties of Sulfaethidole?

Sulfaethidole has a molecular weight of 284.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfaethidole is sourced from PubChem (CID 7181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7181 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2504 — approved-drug record (CC BY-SA 4.0)

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