N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-4-chloro-2-fluorobenzenesulfonamide

HCID 67973018

Basic information

Standard SMILES
Nc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2F)c1
InChIKey
JLBJYSTUMLVMAS-UHFFFAOYSA-N
Molecular formula
C19H15Cl2FN2O2S2
Average molar mass
457.4 g/mol

Names & identifiers

Preferred name
N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-4-chloro-2-fluorobenzenesulfonamide
IUPAC
N-[2-[(3-aminophenyl)methylsulfanyl]-5-chlorophenyl]-4-chloro-2-fluorobenzenesulfonamide

Names & synonyms

N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-4-chloro-2-fluorobenzenesulfonamideSCHEMBL9935556CHEMBL5956326JLBJYSTUMLVMAS-UHFFFAOYSA-NBDBM327403US9663460, Example 210

Database identifiers

PubChem CID
67973018
ChEMBL
CHEMBL5956326

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

Related reactions

6 records

Compound notes

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