Basic information
- Standard SMILES
CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1- InChIKey
FEIRDIIDDZYFFT-UHFFFAOYSA-N- Molecular formula
- C20H21FN4O2S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.13692526
Names & identifiers
- Preferred name
- 4'-(5-Aminopyrazin-2-yl)-N,N-diethyl-3'-fluorobiphenyl-2-sulfonamide
- IUPAC
- 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N,N-diethylbenzenesulfonamide
Names & synonyms
CHEMBL3688438SCHEMBL15915436FEIRDIIDDZYFFT-UHFFFAOYSA-NBDBM168670US9079866, 474'-(5-Aminopyrazin-2-yl)-N,N-diethyl-3'-fluorobiphenyl-2-sulfonamide
Database identifiers
- PubChem CID
- 77844641
- ChEMBL
CHEMBL3688438
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Related reactions
1 records
Compound notes
Loading…