4-tert-Butyl-N-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide

C₂₅H₂₄ClN₅O₄SCAS 150727-06-3526.01 g/mol

Open in Covalent MOL file

Aryl halide Ether Sulfonamide

Properties

Molecular formula: C₂₅H₂₄ClN₅O₄S
Molar mass: 526.01 g/mol
Exact mass: 525.1238 Da
logP: 5.49Crippen estimate
Polar surface area: 116.2 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 7

Identifiers

CAS number

150727-06-3

SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC

InChIKey

XKISWHVJIZSPSC-UHFFFAOYSA-N

InChI

InChI=1S/C25H24ClN5O4S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23/h5-15H,1-4H3,(H,29,30,31)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-tert-Butyl-N-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bosentan147536-97-871 % similar Bosentan monohydrate157212-55-068 % similar 4,6-Dichloro-5-(2-methoxyphenoxy)-2,2′-bipyrimidine150728-13-558 % similar Sulfadoxine2447-57-633 % similar 2-Chloro-3-methoxypyridine52605-96-632 % similar N-[2-[(4-Hydroxyphenyl)amino]-3-pyridinyl]-4-methoxybenzenesulfonamide141430-65-131 % similar Sulfapyridine144-83-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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