Sulfabenzamide

C₁₃H₁₂N₂O₃S — CID 5319

About Sulfabenzamide

Sulfabenzamide (PubChem CID 5319) has the molecular formula C₁₃H₁₂N₂O₃S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylbenzamide.

Molecular Properties

• Compound Name: Sulfabenzamide
• PubChem CID: 5319
• Molecular Formula: C₁₃H₁₂N₂O₃S
• Molecular Weight: 276.32 g/mol
• Exact Mass: 276.06
• IUPAC Name: N-(4-aminophenyl)sulfonylbenzamide
• SMILES: Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
• InChI: InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
• InChIKey: PBCZLFBEBARBBI-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 89.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.32
LogP ≤ 5	1.39
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 Sulfabenzamide?

The IUPAC name of Sulfabenzamide (CID 5319) is N-(4-aminophenyl)sulfonylbenzamide.

What is the SMILES notation for Sulfabenzamide?

The canonical SMILES for Sulfabenzamide is Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1.

What is the InChIKey of Sulfabenzamide?

The InChIKey is PBCZLFBEBARBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16).

What are the key properties of Sulfabenzamide?

Sulfabenzamide has a molecular weight of 276.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfabenzamide is sourced from PubChem (CID 5319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5319 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3558 — approved-drug record (CC BY-SA 4.0)

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