Basic information
- Standard SMILES
O=C(c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1)N1CCN2CCC[C@H]2C1- InChIKey
YBOWDQUKLNJSSM-SFHVURJKSA-N- Molecular formula
- C20H22FN3O3S
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- N-(3-fluorophenyl)-3-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl]benzenesulfonamide
- IUPAC
- 3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-N-(3-fluorophenyl)benzenesulfonamide
Names & synonyms
SCHEMBL396044YBOWDQUKLNJSSM-SFHVURJKSA-NN-(3-fluorophenyl)-3-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl]benzenesulfonamideN-(3-fluorophenyl)-3-[(8aS)-hexahydropyrrolo[1,2-alpha]pyrazin-2(1H)-ylcarbonyl]benzenesulfonamide
Database identifiers
- PubChem CID
- 46853382
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Related reactions
3 records
Compound notes
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