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N-(2-benzoyl-4-chloro-phenyl)-4-ethyl-benzenesulfonamide

HCID 3367319
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIKey
IVZQKAKKDWZSIF-UHFFFAOYSA-N
Molecular formula
C21H18ClNO3S
Average molar mass
399.9 g/mol

Names & identifiers

Preferred name
N-(2-benzoyl-4-chloro-phenyl)-4-ethyl-benzenesulfonamide
IUPAC
N-(2-benzoyl-4-chlorophenyl)-4-ethylbenzenesulfonamide

Names & synonyms

SCHEMBL27982N-(2-benzoyl-4-chloro-phenyl)-4-ethyl-benzenesulfonamideIVZQKAKKDWZSIF-UHFFFAOYSA-NAKOS024377809ST51021055N-(2-Benzoyl-4-chloro-phenyl)-4ethyl-benzenesulfonamide5-chloro-2-{[(4-ethylphenyl)sulfonyl]amino}phenyl phenyl ketone

Database identifiers

PubChem CID
3367319

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
589

Related reactions

5 records
New reaction record
HRID 18873 reaction equation
HRID 18873As productuspto-grants-2010_06
HRID 106789 reaction equation
HRID 106789As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 239819 reaction equation
HRID 239819As productuspto-grants-2014_02
HRID 1765499 reaction equation
HRID 1765499As productuspto-grants-2007_06
HRID 2056279 reaction equation
HRID 2056279As productuspto-grants-2008_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes