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N-[2-(hex-3-enoylsulfamoyl)phenyl]-4-(2-phenylethynyl)benzamide

HCID 69970944
NotesReactions
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Substructure searchFind similar structures

Basic information

Standard SMILES
CCC=CCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1
InChIKey
ZSNSCIRADASIPY-UHFFFAOYSA-N
Molecular formula
C27H24N2O4S
Average molar mass
472.6 g/mol

Names & identifiers

Preferred name
N-[2-(hex-3-enoylsulfamoyl)phenyl]-4-(2-phenylethynyl)benzamide
IUPAC
N-[2-(hex-3-enoylsulfamoyl)phenyl]-4-(2-phenylethynyl)benzamide

Names & synonyms

SCHEMBL7049828

Database identifiers

PubChem CID
69970944

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
34
Formal charge
0
Complexity
879

Related reactions

1 records
New reaction record
HRID 1226595 reaction equation
HRID 1226595As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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