4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-methyl-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide

HCID 19934735

Basic information

Standard SMILES
COc1ccc(Cl)c(Oc2c(C)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIKey
APNHFROZLAKIEB-UHFFFAOYSA-N
Molecular formula
C26H31ClN4O5S
Average molar mass
547.1 g/mol

Names & identifiers

Preferred name
4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-methyl-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide
IUPAC
4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-methyl-2-morpholin-4-ylpyrimidin-4-yl]benzenesulfonamide

Names & synonyms

SCHEMBL7006085APNHFROZLAKIEB-UHFFFAOYSA-N4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-methyl-2-(morpholin-4-yl)-pyrimidin-4-yl]-benzenesulphonamide

Database identifiers

PubChem CID
19934735

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

Related reactions

4 records

Compound notes

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