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

HCID 19934741

Basic information

Standard SMILES
COc1ccc(Cl)c(Oc2c(COCCO)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIKey
USXXYJBMYGYYGJ-UHFFFAOYSA-N
Molecular formula
C24H28ClN3O6S
Average molar mass
522 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL7006879USXXYJBMYGYYGJ-UHFFFAOYSA-NL0112284-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy-methyl)-pyrimidin-4-yl]-benzenesuiphonamide4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy-methyl)-pyrimidin-4-yl]-benzenesulphonamide

Database identifiers

PubChem CID
19934741

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
35

Related reactions

3 records

Compound notes

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