4-{3E-[5-(2-Aminophenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonamide

HCID 69490318
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Basic information

Standard SMILES
COc1cc(OC)c(/C=C/C(=O)c2ccc(S(N)(=O)=O)cc2)cc1C#Cc1ccccc1N
InChIKey
CDCHUPNJPWYNNU-SDNWHVSQSA-N
Molecular formula
C25H22N2O5S
Average molar mass
462.5 g/mol

Names & identifiers

Preferred name
4-{3E-[5-(2-Aminophenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonamide
IUPAC
4-[(E)-3-[5-[2-(2-aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]benzenesulfonamide

Names & synonyms

SCHEMBL5565287CDCHUPNJPWYNNU-SDNWHVSQSA-N4-{3E-[5-(2-Amino-phenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonamide4-{3E-[5-(2-Aminophenylethynyl)-2,4-dimethoxyphenyl]acryloyl}benzenesulfonamide

Database identifiers

PubChem CID
69490318

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
130 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
33

Related reactions

2 records
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Compound notes

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