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Basic information
- Standard SMILES
Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1- InChIKey
WHOOKMVWEDCLIO-UHFFFAOYSA-N- Molecular formula
- C17H13ClN6O2S
- Average molar mass
- 400.8 g/mol
- Monoisotopic mass
- 400.0509225
Names & identifiers
- Preferred name
- N-[3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-4-chloro-benzenesulfonamide
- IUPAC
- N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide
Names & synonyms
SCHEMBL3873243WHOOKMVWEDCLIO-UHFFFAOYSA-NN-[3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-4-chloro-benzenesulfonamide
Database identifiers
- PubChem CID
- 57750243
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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