N-[2-(4-Chlorocinnamylamino)ethyl]-5-isoquinolinesulfonamide

HCID 176156
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Basic information

Standard SMILES
O=S(=O)(NCCNCC=Cc1ccc(Cl)cc1)c1cccc2cnccc12
InChIKey
QPBVZAIIDPNCAY-UHFFFAOYSA-N
Molecular formula
C20H20ClN3O2S
Average molar mass
401.9 g/mol

Names & identifiers

Preferred name
N-[2-(4-Chlorocinnamylamino)ethyl]-5-isoquinolinesulfonamide
IUPAC
N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide

Names & synonyms

SCHEMBL9587855QPBVZAIIDPNCAY-UHFFFAOYSA-NN-[2-(4-Chlorocinnamylamino)ethyl]-5-isoquinolinesulfonamide

Database identifiers

PubChem CID
176156

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
79.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
27

Related reactions

15 records
New reaction record

Linked notes

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