Sulfanilamide

C₆H₈N₂O₂S — CID 5333

About Sulfanilamide

Sulfanilamide (PubChem CID 5333) has the molecular formula C₆H₈N₂O₂S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide.

Molecular Properties

• Compound Name: Sulfanilamide
• PubChem CID: 5333
• Molecular Formula: C₆H₈N₂O₂S
• Molecular Weight: 172.21 g/mol
• Exact Mass: 172.03
• IUPAC Name: 4-aminobenzenesulfonamide
• SMILES: Nc1ccc(S(N)(=O)=O)cc1
• InChI: InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
• InChIKey: FDDDEECHVMSUSB-UHFFFAOYSA-N
• XLogP: -0.08
• TPSA: 86.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.21
LogP ≤ 5	-0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sulfanilamide?

The IUPAC name of Sulfanilamide (CID 5333) is 4-aminobenzenesulfonamide.

What is the SMILES notation for Sulfanilamide?

The canonical SMILES for Sulfanilamide is Nc1ccc(S(N)(=O)=O)cc1.

What is the InChIKey of Sulfanilamide?

The InChIKey is FDDDEECHVMSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10).

What are the key properties of Sulfanilamide?

Sulfanilamide has a molecular weight of 172.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfanilamide is sourced from PubChem (CID 5333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5333 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2521 — approved-drug record (CC BY-SA 4.0)

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