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

HCID 67147366
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Basic information

Standard SMILES
CC(Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCCO2.Cl
InChIKey
IDHDRZLXDAQAPG-UHFFFAOYSA-N
Molecular formula
C21H27Cl2N3O4S
Average molar mass
488.4 g/mol

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 hydrochloride
IUPAC
N-[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline;hydrochloride

Names & synonyms

SCHEMBL1748394IDHDRZLXDAQAPG-UHFFFAOYSA-NN-(1-(6-Chloro-2,3-dihydrobenzo[b][1,4]dioxin-8-yl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzenamine hydrochloride

Database identifiers

PubChem CID
67147366

Properties

Computed structural properties

Topological polar surface area
88.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
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Compound notes

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