Basic information
- Standard SMILES
CNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1- InChIKey
WIGSBOSBGAGALY-UHFFFAOYSA-N- Molecular formula
- C24H29FN4O5S
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl)-N-methyl-4-morpholinobenzenesulfonamide
- IUPAC
- 3-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-N-methyl-4-morpholin-4-ylbenzenesulfonamide
Names & synonyms
CHEMBL497970SCHEMBL3929233WIGSBOSBGAGALY-UHFFFAOYSA-NBDBM502651753- [4-(4-Acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-N-methyl4-morpholin4-yl-benzenesulfonamide3-(4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl)-N-methyl-4-morpholinobenzenesulfonamide3-[4-(4-Acetyl-2-fluoro-phenyl)-piperazine-1-carbonyl]-N-methyl-4-morpholin-4-yl-benzenesulfonamide
Database identifiers
- PubChem CID
- 44580554
- ChEMBL
CHEMBL497970
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 854
Related reactions
3 records
Compound notes
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