N-{5-chloro-2-[(2-pyridin-2-ylethyl)thio]phenyl}-1-benzofuran-2-sulfonamide

HCID 67972452

Basic information

Standard SMILES
O=S(=O)(Nc1cc(Cl)ccc1SCCc1ccccn1)c1cc2ccccc2o1
InChIKey
PCEZOZORGUDSHF-UHFFFAOYSA-N
Molecular formula
C21H17ClN2O3S2
Average molar mass
445 g/mol

Names & identifiers

Preferred name
N-{5-chloro-2-[(2-pyridin-2-ylethyl)thio]phenyl}-1-benzofuran-2-sulfonamide
IUPAC
N-[5-chloro-2-(2-pyridin-2-ylethylsulfanyl)phenyl]-1-benzofuran-2-sulfonamide

Names & synonyms

N-{5-chloro-2-[(2-pyridin-2-ylethyl)thio]phenyl}-1-benzofuran-2-sulfonamideSCHEMBL9934237CHEMBL5893946PCEZOZORGUDSHF-UHFFFAOYSA-NBDBM327363US9663460, Example 170

Database identifiers

PubChem CID
67972452
ChEMBL
CHEMBL5893946

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

Related reactions

7 records

Compound notes

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