N-(1-(6-chloro-2,3-dihydrobenzo[b][1,4]dioxin-8-yl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine

HCID 11633830
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCCO2
InChIKey
ABIZBBCEFNPBDZ-UHFFFAOYSA-N
Molecular formula
C21H26ClN3O4S
Average molar mass
452 g/mol
Monoisotopic mass
451.1332552

Names & identifiers

Preferred name
N-(1-(6-chloro-2,3-dihydrobenzo[b][1,4]dioxin-8-yl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine
IUPAC
N-[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline

Names & synonyms

SCHEMBL475562ABIZBBCEFNPBDZ-UHFFFAOYSA-NN-(1-(6-chloro-2,3-dihydrobenzo[b][1,4]dioxin-8-yl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine

Database identifiers

PubChem CID
11633830

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
88.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

Related reactions

5 records
New reaction record

Compound notes

Loading…