N-{3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-4-nitro-benzenesulfonamide

HCID 69780499
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Basic information

Standard SMILES
CCC(=C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1
InChIKey
GTABCCZDUGDYFJ-UHFFFAOYSA-N
Molecular formula
C31H26N2O5S
Average molar mass
538.6 g/mol
Monoisotopic mass
538.15624311

Names & identifiers

Preferred name
N-{3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-4-nitro-benzenesulfonamide
IUPAC
3-[4-(1,2-diphenylbut-1-enyl)phenyl]-N-(4-nitrophenyl)sulfonylprop-2-enamide

Names & synonyms

SCHEMBL6436501GTABCCZDUGDYFJ-UHFFFAOYSA-NN-{3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-4-nitro-benzenesulfonamide

Database identifiers

PubChem CID
69780499

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
39

Related reactions

3 records
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Compound notes

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