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Pharmaceutical impurity

Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride

Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride is listed in the pharmaceutical impurity collection under CAS 16974-44-0. Its represented structure has formula C12H21ClN2O2S and a calculated molecular weight of 292.83 g/mol.

2D chemical structure

N H N H S O O H C l

Chemical identity

Catalog name
Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride
Common name
Sotalol Hydrochloride Imp. A (EP) as Hydrochloride
Chemical name
N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride
CAS
16974-44-0
SMILES
CC(C)NCCc1ccc(NS(C)(=O)=O)cc1.Cl
InChI
InChI=1S/C12H20N2O2S.ClH/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16;/h4-7,10,13-14H,8-9H2,1-3H3;1H
InChIKey
GPOMQHDZXSGJKB-UHFFFAOYSA-N
Associated API
Sotalol Hydrochloride

Record ID: Aa10a9802363e

Computed properties

C12H21ClN2O2S Molecular formula
292.832 g/molMolecular weight
292.1012 DaMonoisotopic exact mass
58.2 ŲTopological polar surface area
2.0204 Calculated LogP (Wildman–Crippen)
78.9992 cm³/molMolar refractivity (Wildman–Crippen)
3 countHydrogen-bond acceptors
2 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD. The SMILES contains 2 disconnected components. Calculations retain all represented components.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 2 4 6 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C Cl H N O S 0 5 10 15 20 Number of atoms

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference
DescriptorValuePercentile
Molecular weight292.83242.05
Calculated LogP (Wildman–Crippen)2.020443.07
Topological polar surface area58.238.88
Hydrogen-bond acceptors333.13
Hydrogen-bond donors264.87
Rotatable bonds (strict)669.73

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC12H21ClN2O2Sdimensionless
Molecular weight292.832g/mol
Monoisotopic exact mass292.1012Da
Topological polar surface area58.2Ų
Calculated LogP (Wildman–Crippen)2.0204dimensionless
Molar refractivity (Wildman–Crippen)78.9992cm³/mol
Hydrogen-bond acceptors3count
Hydrogen-bond donors2count
Rotatable bonds (strict)6count
Heavy atoms18count
Heteroatoms6count
Rings1count
Aromatic rings1count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.5fraction
Formal charge0e
Disconnected components2count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area115.6346Ų
Valence electrons104count
Radical electrons0count
Bertz complexity443.6501index
Balaban J0index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride

Qualification and safety assessment of Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride

Explore toxicological qualification of Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride and ICH M7 mutagenic impurity assessment of Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride and acceptable intake and limit justification for Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

Discuss an assessment for Sotalol Hydrochloride Imp. A (EP) as Hydrochloride: N-[4-[2- [(1-Methylethyl)amino]ethyl]phenyl]- methanesulphonamide Hydrochloride

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