Basic information
- Standard SMILES
O=S(=O)(NCCNc1nc(Cl)nc2c1ncn2C1CCCC1)c1ccc(F)cc1- InChIKey
GIAFFJATAKDHTN-UHFFFAOYSA-N- Molecular formula
- C18H20ClFN6O2S
- Average molar mass
- 438.9 g/mol
- Monoisotopic mass
- 438.1041009
Names & identifiers
- Preferred name
- N-[2-[(2-chloro-9-cyclopentyl-9H-purin-6-yl)-amino]-ethyl]-4-fluoro-benzenesulphonamide
- IUPAC
- N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-fluorobenzenesulfonamide
Names & synonyms
SCHEMBL5197029GIAFFJATAKDHTN-UHFFFAOYSA-NN-[2-[(2-chloro-9-cyclopentyl-9H-purin-6-yl)-amino]-ethyl]-4-fluoro-benzenesulphonamide
Database identifiers
- PubChem CID
- 21923077
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 639
Related reactions
2 records
Compound notes
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