N-[3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-4-methoxy-benzenesulfonamide
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Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)cc1- InChIKey
ZDUOWFOFOJMOPN-UHFFFAOYSA-N- Molecular formula
- C18H16N6O3S
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- N-[3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-4-methoxy-benzenesulfonamide
- IUPAC
- N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide
Names & synonyms
SCHEMBL3879765ZDUOWFOFOJMOPN-UHFFFAOYSA-NN-[3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-4-methoxy-benzenesulfonamide
Database identifiers
- PubChem CID
- 57750254
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 621
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Related reactions
1 records
Compound notes
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