Sulfacarbamide

C₇H₉N₃O₃S — CID 11033

About Sulfacarbamide

Sulfacarbamide (PubChem CID 11033) has the molecular formula C₇H₉N₃O₃S and a molecular weight of 215.23 g/mol. Its IUPAC name is (4-aminophenyl)sulfonylurea.

Molecular Properties

• Compound Name: Sulfacarbamide
• PubChem CID: 11033
• Molecular Formula: C₇H₉N₃O₃S
• Molecular Weight: 215.23 g/mol
• Exact Mass: 215.04
• IUPAC Name: (4-aminophenyl)sulfonylurea
• SMILES: NC(=O)NS(=O)(=O)c1ccc(N)cc1
• InChI: InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
• InChIKey: WVAKABMNNSMCDK-UHFFFAOYSA-N
• XLogP: -0.37
• TPSA: 115.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.23
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	3
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 Sulfacarbamide?

The IUPAC name of Sulfacarbamide (CID 11033) is (4-aminophenyl)sulfonylurea.

What is the SMILES notation for Sulfacarbamide?

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

What is the InChIKey of Sulfacarbamide?

The InChIKey is WVAKABMNNSMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11).

What are the key properties of Sulfacarbamide?

Sulfacarbamide has a molecular weight of 215.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfacarbamide is sourced from PubChem (CID 11033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11033 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2496 — approved-drug record (CC BY-SA 4.0)

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