Sulmazole

C₁₄H₁₃N₃O₂S — CID 5353

About Sulmazole

Sulmazole (PubChem CID 5353) has the molecular formula C₁₄H₁₃N₃O₂S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: Sulmazole
• PubChem CID: 5353
• Molecular Formula: C₁₄H₁₃N₃O₂S
• Molecular Weight: 287.34 g/mol
• Exact Mass: 287.07
• IUPAC Name: 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
• SMILES: COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1
• InChI: InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
• InChIKey: XMFCOYRWYYXZMY-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.34
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Sulmazole?

The IUPAC name of Sulmazole (CID 5353) is 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for Sulmazole?

The canonical SMILES for Sulmazole is COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1.

What is the InChIKey of Sulmazole?

The InChIKey is XMFCOYRWYYXZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17).

What are the key properties of Sulmazole?

Sulmazole has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Sulmazole is sourced from PubChem (CID 5353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5353 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3574 — approved-drug record (CC BY-SA 4.0)

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