N-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-thiomorpholin-4-yl-benzenesulfonamide
Basic information
- Standard SMILES
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCSCC2)cc1- InChIKey
WUDSUFANEADHTQ-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3O3S2
- Average molar mass
- 474 g/mol
Names & identifiers
- Preferred name
- N-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-thiomorpholin-4-yl-benzenesulfonamide
- IUPAC
- N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-thiomorpholin-4-ylbenzenesulfonamide
Names & synonyms
SCHEMBL343812CHEMBL3718850WUDSUFANEADHTQ-UHFFFAOYSA-NN-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-thiomorpholin-4-yl-benzenesulfonamide
Database identifiers
- PubChem CID
- 59788694
- ChEMBL
CHEMBL3718850
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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