Tolazamide

C₁₄H₂₁N₃O₃S — CID 5503

About Tolazamide

Tolazamide (PubChem CID 5503) has the molecular formula C₁₄H₂₁N₃O₃S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

• Compound Name: Tolazamide
• PubChem CID: 5503
• Molecular Formula: C₁₄H₂₁N₃O₃S
• Molecular Weight: 311.41 g/mol
• Exact Mass: 311.13
• IUPAC Name: 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
• InChI: InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
• InChIKey: OUDSBRTVNLOZBN-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.41
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Tolazamide?

The IUPAC name of Tolazamide (CID 5503) is 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea.

What is the SMILES notation for Tolazamide?

The canonical SMILES for Tolazamide is Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1.

What is the InChIKey of Tolazamide?

The InChIKey is OUDSBRTVNLOZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18).

What are the key properties of Tolazamide?

Tolazamide has a molecular weight of 311.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tolazamide is sourced from PubChem (CID 5503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5503 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2694 — approved-drug record (CC BY-SA 4.0)

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