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2-chloro-N-[2-(4-chloro-benzenesulfonylamino)phenyl]-5-trifluoromethylbenzenesulfonamide

HCID 68949030
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1
InChIKey
AZOOKJVCSFFEKG-UHFFFAOYSA-N
Molecular formula
C19H13Cl2F3N2O4S2
Average molar mass
525.3 g/mol

Names & identifiers

Preferred name
2-chloro-N-[2-(4-chloro-benzenesulfonylamino)phenyl]-5-trifluoromethylbenzenesulfonamide
IUPAC
2-chloro-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)benzenesulfonamide

Names & synonyms

2-chloro-N-[2-(4-chloro-benzenesulfonylamino)phenyl]-5-trifluoromethylbenzenesulfonamideSCHEMBL4190508

Database identifiers

PubChem CID
68949030

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
838

Related reactions

3 records
New reaction record
HRID 730228 reaction equation
HRID 730228As productuspto-grants-2009_09
HRID 730229 reaction equation
HRID 730229As reactantuspto-grants-2009_09
HRID 827819 reaction equation
HRID 827819As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes