4'-(5-aminopyrazin-2-yl)-N-tert-butyl-3'-fluorobiphenyl-2-sulfonamide
Basic information
- Standard SMILES
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1- InChIKey
BRFMOZPEZJWLFY-UHFFFAOYSA-N- Molecular formula
- C20H21FN4O2S
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- 4'-(5-aminopyrazin-2-yl)-N-tert-butyl-3'-fluorobiphenyl-2-sulfonamide
- IUPAC
- 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
Names & synonyms
CHEMBL3688400SCHEMBL15915607BRFMOZPEZJWLFY-UHFFFAOYSA-NBDBM168631US9079866, 44'-(5-aminopyrazin-2-yl)-N-tert-butyl-3'-fluorobiphenyl-2-sulfonamide4'-(5-Aminopyrazin-2-yl)-N-(tert-butyl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
Database identifiers
- PubChem CID
- 77844697
- ChEMBL
CHEMBL3688400
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 619
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Related reactions
4 records
Compound notes
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