CAS 150725-87-4 | Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]- | CAS Number 150725-87-4

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150725-87-4 | Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]-

CAS No: 150725-87-4 Catalog No: AG001MTR MDL No:

Product Description

Catalog Number:

AG001MTR

Chemical Name:

Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]-

CAS Number:

150725-87-4

Molecular Formula:

C23H27N3O6S

Molecular Weight:

473.5420

IUPAC Name:

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide

InChI:

InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)

InChI Key:

ZNXOKLWCOWOECF-UHFFFAOYSA-N

SMILES:

OCCOc1ncnc(c1Oc1cccc(c1)OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C

Properties

Complexity:

687

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

473.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

473.544g/mol

Monoisotopic Mass:

473.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

128A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Potent and selective ET-A antagonists. 1. Syntheses and structure-activity relationships of N-(6-(2-(aryloxy)ethoxy)-4-pyrimidinyl)sulfonamide derivatives.	Journal of medicinal chemistry 20011011
Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists.	Journal of medicinal chemistry 19960524