Amosulalol

C₁₈H₂₄N₂O₅S — CID 2169

About Amosulalol

Amosulalol (PubChem CID 2169) has the molecular formula C₁₈H₂₄N₂O₅S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: Amosulalol
• PubChem CID: 2169
• Molecular Formula: C₁₈H₂₄N₂O₅S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.14
• IUPAC Name: 5-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
• SMILES: COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1
• InChI: InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)
• InChIKey: LVEXHFZHOIWIIP-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 110.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Amosulalol?

The IUPAC name of Amosulalol (CID 2169) is 5-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide.

What is the SMILES notation for Amosulalol?

The canonical SMILES for Amosulalol is COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1.

What is the InChIKey of Amosulalol?

The InChIKey is LVEXHFZHOIWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23).

What are the key properties of Amosulalol?

Amosulalol has a molecular weight of 380.47 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Amosulalol is sourced from PubChem (CID 2169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2169 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 190 — approved-drug record (CC BY-SA 4.0)

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