4-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenylsulfamoyl}-benzoic acid ethyl ester

HCID 86645951
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1
InChIKey
VBKJFOHYVFVMRO-UHFFFAOYSA-N
Molecular formula
C24H21Cl2F3N2O5S
Average molar mass
577.4 g/mol

Names & identifiers

Preferred name
4-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenylsulfamoyl}-benzoic acid ethyl ester
IUPAC
ethyl 4-[[3-chloro-4-[3-(2-chloro-4-pyridinyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]phenyl]sulfamoyl]benzoate

Names & synonyms

4-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenylsulfamoyl}-benzoic acid ethyl esterSCHEMBL480014

Database identifiers

PubChem CID
86645951

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

Loading…