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2-chloro-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide

HCID 11547003
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cccc(F)c1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccccc1Cl
InChIKey
LQXZRMMJTMPBAR-UHFFFAOYSA-N
Molecular formula
C19H13Cl2FN2O4S
Average molar mass
455.3 g/mol
Monoisotopic mass
453.9957116

Names & identifiers

Preferred name
2-chloro-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide
IUPAC
2-chloro-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]benzenesulfonamide

Names & synonyms

SCHEMBL305288SCHEMBL29888324

Database identifiers

PubChem CID
11547003

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
678

Related reactions

1 records
New reaction record
HRID 1225747 reaction equation
HRID 1225747As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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