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Molecule
DL-Sotalol
CAS: 3930-20-9 · C12H20N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3930-20-9
- Molecular Formula
- C12H20N2O3S
- Molecular Mass
- 272.37 g/mol
Identifiers
CAS Registry Number
3930-20-9
SMILES
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
InChI Key
ZBMZVLHSJCTVON-UHFFFAOYSA-N
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
Names and Synonyms
- DL-Sotalol Synonym
- Sotalol Synonym
- Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]- Synonym
- Methanesulfonanilide, 4′-[1-hydroxy-2-(isopropylamino)ethyl]- Synonym
- N-[4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]methanesulfonamide Synonym
- 4′-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide Synonym
- Sotalol Synonym
- Beta-Cardone Synonym
- DL-4-(2-Isopropylamino-1-hydroxyethyl)methanesulfonanilide Synonym
- dl-Sotalol Synonym
- (±)-Sotalol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.37 g/mol | CAS Common Chemistry |
| 272.363 g/mol | chempirical lib | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.298 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(NC1=CC=C(C=C1)C(O)CNC(C)C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBMZVLHSJCTVON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206.5-207 °C | CAS Common Chemistry |
| Name | Sotalol | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.43 Ų | RDKit |
| LogP | 1.0895000000000001 | RDKit |
| 1.0895 | RDKit | |
| Molar Refractivity | 73.00700000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 272.1194635 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 272.37 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
