Sotalol

C₁₂H₂₀N₂O₃S — CID 5253

About Sotalol

Sotalol (PubChem CID 5253) has the molecular formula C₁₂H₂₀N₂O₃S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: Sotalol
• PubChem CID: 5253
• Molecular Formula: C₁₂H₂₀N₂O₃S
• Molecular Weight: 272.37 g/mol
• Exact Mass: 272.12
• IUPAC Name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
• SMILES: CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
• InChI: InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
• InChIKey: ZBMZVLHSJCTVON-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.37
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Sotalol?

The IUPAC name of Sotalol (CID 5253) is N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide.

What is the SMILES notation for Sotalol?

The canonical SMILES for Sotalol is CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.

What is the InChIKey of Sotalol?

The InChIKey is ZBMZVLHSJCTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3.

What are the key properties of Sotalol?

Sotalol has a molecular weight of 272.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Sotalol is sourced from PubChem (CID 5253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5253 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2464 — approved-drug record (CC BY-SA 4.0)

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