Sulfaguanidine

C₇H₁₀N₄O₂S — CID 5324

About Sulfaguanidine

Sulfaguanidine (PubChem CID 5324) has the molecular formula C₇H₁₀N₄O₂S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonylguanidine.

Molecular Properties

• Compound Name: Sulfaguanidine
• PubChem CID: 5324
• Molecular Formula: C₇H₁₀N₄O₂S
• Molecular Weight: 214.25 g/mol
• Exact Mass: 214.05
• IUPAC Name: 2-(4-aminophenyl)sulfonylguanidine
• SMILES: NC(N)=NS(=O)(=O)c1ccc(N)cc1
• InChI: InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
• InChIKey: BRBKOPJOKNSWSG-UHFFFAOYSA-N
• XLogP: -0.77
• TPSA: 124.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.25
LogP ≤ 5	-0.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sulfaguanidine?

The IUPAC name of Sulfaguanidine (CID 5324) is 2-(4-aminophenyl)sulfonylguanidine.

What is the SMILES notation for Sulfaguanidine?

The canonical SMILES for Sulfaguanidine is NC(N)=NS(=O)(=O)c1ccc(N)cc1.

What is the InChIKey of Sulfaguanidine?

The InChIKey is BRBKOPJOKNSWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11).

What are the key properties of Sulfaguanidine?

Sulfaguanidine has a molecular weight of 214.25 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfaguanidine is sourced from PubChem (CID 5324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5324 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2505 — approved-drug record (CC BY-SA 4.0)

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