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Molecule
Sotalol Hydrochloride
CAS: 959-24-0 · C12H21ClN2O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 959-24-0
- Molecular Formula
- C12H21ClN2O3S
- Molecular Mass
- 308.83 g/mol
Identifiers
CAS Registry Number
959-24-0
SMILES
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChI Key
VIDRYROWYFWGSY-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N2O3S.ClH/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;1H
Names and Synonyms
- Sotalol Hydrochloride Common Name
- Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, hydrochloride (1:1) Synonym
- Methanesulfonanilide, 4′-[1-hydroxy-2-(isopropylamino)ethyl]-, monohydrochloride Synonym
- Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, monohydrochloride Synonym
- 4′-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide hydrochloride Synonym
- 4′-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide hydrochloride Synonym
- N-Isopropyl-β-(4-methanesulfonamidophenyl)ethanolamine hydrochloride Synonym
- Sotalol hydrochloride Synonym
- MJ 1999 Synonym
- 4′-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide monohydrochloride Synonym
- Sotalex Synonym
- Sotacor Synonym
- DL-MJ 1999 Synonym
- (±)-Sotalol hydrochloride Synonym
- dl-Sotalol hydrochloride Synonym
- Betapace Synonym
- Darob Synonym
- Sotalol HCl Synonym
- N-[4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]methanesulfonamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.83 g/mol | CAS Common Chemistry |
| 308.83099999999996 g/mol | RDKit | |
| 308.831 g/mol | RDKit | |
| 308.821 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=S(=O)(NC1=CC=C(C=C1)C(O)CNC(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H20N2O3S.ClH/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;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VIDRYROWYFWGSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206.5-207 °C | CAS Common Chemistry |
| Name | Sotalol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 1.5112999999999999 | RDKit |
| 1.5113 | RDKit | |
| Molar Refractivity | 80.25500000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 308.096141212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 308.83 g/mol. Edit any field — others recompute live.
