N-{2-[4-Chloro-N-(4-hydroxybenzyl) cinnamylamino]ethyl}-5-isoquinolinesulfonamide

HCID 53642189

Basic information

Standard SMILES
O=S(=O)(NCCN(CC=Cc1ccc(Cl)cc1)Cc1ccc(O)cc1)c1cccc2cnccc12
InChIKey
AGUJBQHRTOMEDU-UHFFFAOYSA-N
Molecular formula
C27H26ClN3O3S
Average molar mass
508 g/mol

Names & identifiers

Preferred name
N-{2-[4-Chloro-N-(4-hydroxybenzyl) cinnamylamino]ethyl}-5-isoquinolinesulfonamide
IUPAC
N-[2-[3-(4-chlorophenyl)prop-2-enyl-[(4-hydroxyphenyl)methyl]amino]ethyl]isoquinoline-5-sulfonamide

Names & synonyms

SCHEMBL9484619AGUJBQHRTOMEDU-UHFFFAOYSA-NN-{2-[4-Chloro-N-(4-hydroxybenzyl) cinnamylamino]ethyl}-5-isoquinolinesulfonamideN-{2-[4-Chloro-N-(4-Hydroxybenzyl)Cinnamylamino]ethyl}-5-Isoquinolinesulfonamide

Database identifiers

PubChem CID
53642189

Properties

Computed structural properties

XLogP
5
Topological polar surface area
90.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

3 records

Linked notes

Loading…