N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide

Basic Information

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CAS Number

115256-11-6

Molecular Formula

C19H27N3O5S2

Molecular Weight

441.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

157-159°C

Boiling Point

614.1±65.0°C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

325.2±34.3 °C

Solubility

DMSO: >20mg/mL

Refractive Index

1.613

Vapor Pressure

0.0±1.8 mmHg at 25°C

SMILES

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CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3

InChIKey

IXTMWRCNAAVVAI-UHFFFAOYSA-N

LogP

1.9828999999999997

pKa

7.0, 9.0, 9.6(at 25℃)

Topological Polar Surface Area

104.81 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

672

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H360 May damage fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

NCGC00261036-01
DOFETILIDE (USP-RS)
GTPL2604
Dofetilide, United States Pharmacopeia (USP) Reference Standard
DOFETILIDE [USAN]
N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (dofetilide)
Dofetilida (INN-Spanish)
CHEMBL473
MFCD00869707
J-003271
C19H27N3O5S2
DOFETILIDE [USP MONOGRAPH]
Tikosyn (TN)
C01BD04
FT-0631076
N-[4-(2-{[2-(4-methanesulfonamidophenyl)ethyl](methyl)amino}ethoxy)phenyl]methanesulfonamide
Dofetilide (USAN:USP:INN:BAN)
HMS3261G03
Dofetilide (Tikosyn)
Tox21_500351
1-(4-Methanesulfonamidophenoxy)-2-
NC00287
H11953
1-(4-Methansulphonamidophenoxy)-2-[N-(4-methanesulphonamidophenethyl)-N-methylamino]ethane
HMS3393N14
DOFETILIDE [USP-RS]
DOFETILIDE [EMA EPAR]
UK-68798
N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide
.BETA.-((P-METHANESULFONAMIDOPHENETHYL)METHYLAMINO)METHANESULFONO-P-PHENETIDIDE
Xelide

MDL Number

MFCD00869707

FAQ

What regulatory guidelines apply to N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6)?

N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6) is subject to regulatory guidelines such as GHS (Globally Harmonized System of Classification and Labeling of Chemicals), REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the EU, and FDA/EPA requirements in the United States. Manufacturers and suppliers must ensure compliance with these regulations regarding safety data sheets, labeling, and the safe handling and disposal of the compound.

Are there alternatives to N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6) in synthesis?

In the synthesis of N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6), chemists might explore alternatives such as related sulfonyl compounds or other amine derivatives. Common alternative reagents include methylsulfonyl chloride and substituted anilines, which can be used as precursors to similar compounds.

What is the market or research trend for N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6)?

The market and research trends for N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6) are driven by its potential applications in pharmaceuticals and functional materials. Recent studies focus on its synthesis, properties, and biological activity. The compound is increasingly being explored in drug discovery and as a component in advanced materials.

How should waste containing N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6) be handled?

Waste containing N-(4-{2-[Methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide (CAS: 115256-11-6) should be collected and disposed of in accordance with local and national regulations. Proper waste handling includes neutralizing any acidic or basic components, followed by incineration or professional waste disposal services. Environmental protection measures should be taken to prevent soil and water contamination during disposal.