Dapsone

C₁₂H₁₂N₂O₂S — CID 2955

About Dapsone

Dapsone (PubChem CID 2955) has the molecular formula C₁₂H₁₂N₂O₂S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylaniline.

Molecular Properties

• Compound Name: Dapsone
• PubChem CID: 2955
• Molecular Formula: C₁₂H₁₂N₂O₂S
• Molecular Weight: 248.31 g/mol
• Exact Mass: 248.06
• IUPAC Name: 4-(4-aminophenyl)sulfonylaniline
• SMILES: Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
• InChI: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
• InChIKey: MQJKPEGWNLWLTK-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 86.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.31
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dapsone?

The IUPAC name of Dapsone (CID 2955) is 4-(4-aminophenyl)sulfonylaniline.

What is the SMILES notation for Dapsone?

The canonical SMILES for Dapsone is Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.

What is the InChIKey of Dapsone?

The InChIKey is MQJKPEGWNLWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2.

What are the key properties of Dapsone?

Dapsone has a molecular weight of 248.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dapsone is sourced from PubChem (CID 2955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2955 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 782 — approved-drug record (CC BY-SA 4.0)

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