Acetazolamide

C₄H₆N₄O₃S₂ — CID 1986

About Acetazolamide

Acetazolamide (PubChem CID 1986) has the molecular formula C₄H₆N₄O₃S₂ and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: Acetazolamide
• PubChem CID: 1986
• Molecular Formula: C₄H₆N₄O₃S₂
• Molecular Weight: 222.25 g/mol
• Exact Mass: 221.99
• IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
• SMILES: CC(=O)Nc1nnc(S(N)(=O)=O)s1
• InChI: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
• InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N
• XLogP: -0.86
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.25
LogP ≤ 5	-0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Acetazolamide?

The IUPAC name of Acetazolamide (CID 1986) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for Acetazolamide?

The canonical SMILES for Acetazolamide is CC(=O)Nc1nnc(S(N)(=O)=O)s1.

What is the InChIKey of Acetazolamide?

The InChIKey is BZKPWHYZMXOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9).

What are the key properties of Acetazolamide?

Acetazolamide has a molecular weight of 222.25 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Acetazolamide is sourced from PubChem (CID 1986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1986 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 56 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.