N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
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Basic information
- CAS
7701-65-7- Standard SMILES
CNC(C)C(O)c1ccc(NS(C)(=O)=O)cc1- InChIKey
YTDJNWMSAAWJDD-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3S
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.10381361
Names & identifiers
- Preferred name
- N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
- IUPAC
- N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
- English name
- Metalol
- Molecular formula
- C11H18N2O3S
- Molecular weight
- 258.34
Names & synonyms
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamideN-{4-[1-HYDROXY-2-(METHYLAMINO)PROPYL]PHENYL}METHANESULFONAMIDESCHEMBL613921CHEMBL2110946BDBM814514'-(1-Hydroxy-2-(methylamino)propyl)methanesulfonanilideDTXSID00998296PDSP1_000162PDSP2_000161CAS_120852NSC_120852MJ-1998,(+/-)
Show more names
MetalolN-[4-[2-(Methylamino)-1-hydroxypropyl]phenyl]methanesulfonamideMethanesulfonamide, N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]-
Database identifiers
- CAS
7701-65-7- PubChem CID
- 24377
- DTXSID
DTXSID00998296- ChEMBL
CHEMBL2110946- Nikkaji
- J8.963J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 433.1 · 433.1±55.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 8.33 · 8.33±0.10(Predicted)
- FDA UNII
- 2 FRF5KF8C · D2FRF5KF8C
Chemistry & industry
Applications
UsesAnti-adrenergic (β-receptor).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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