Name: Name:Methanesulfonamide, N-[4-[2-[[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-
Brand: Angene
SKU: AG0024OP
Rating: 90 (10 reviews)

Methanesulfonamide, N-[4-[2-[[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-

CAS No.:

176447-94-2

Catalog Number:

AG0024OP

Molecular Formula:

C18H25N3O5S2

Molecular Weight:

427.5382

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Product Description

Catalog Number:

AG0024OP

Chemical Name:

Methanesulfonamide, N-[4-[2-[[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-

CAS Number:

176447-94-2

Molecular Formula:

C18H25N3O5S2

Molecular Weight:

427.5382

MDL Number:

MFCD00871914

IUPAC Name:

N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide

InChI:

InChI=1S/C18H25N3O5S2/c1-27(22,23)20-16-5-3-15(4-6-16)11-12-19-13-14-26-18-9-7-17(8-10-18)21-28(2,24)25/h3-10,19-21H,11-14H2,1-2H3

InChI Key:

JITIJIUDNAYXKK-UHFFFAOYSA-N

SMILES:

CS(=O)(=O)Nc1ccc(cc1)CCNCCOc1ccc(cc1)NS(=O)(=O)C

Properties

Complexity:

642

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

427.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

427.534g/mol

Monoisotopic Mass:

427.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
New p-methylsulfonamido phenylethylamine analogues as class III antiarrhythmic agents: design, synthesis, biological assay, and 3D-QSAR analysis.	Journal of medicinal chemistry 20020704