Lansoprazole

C₁₆H₁₄F₃N₃O₂S — CID 3883

About Lansoprazole

Lansoprazole (PubChem CID 3883) has the molecular formula C₁₆H₁₄F₃N₃O₂S and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: Lansoprazole
• PubChem CID: 3883
• Molecular Formula: C₁₆H₁₄F₃N₃O₂S
• Molecular Weight: 369.37 g/mol
• Exact Mass: 369.08
• IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
• InChIKey: MJIHNNLFOKEZEW-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.37
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Lansoprazole?

The IUPAC name of Lansoprazole (CID 3883) is 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

What is the SMILES notation for Lansoprazole?

The canonical SMILES for Lansoprazole is Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.

What is the InChIKey of Lansoprazole?

The InChIKey is MJIHNNLFOKEZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22).

What are the key properties of Lansoprazole?

Lansoprazole has a molecular weight of 369.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Lansoprazole is sourced from PubChem (CID 3883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3883 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1547 — approved-drug record (CC BY-SA 4.0)

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