Basic information
- CAS
17720-50-2- Standard SMILES
Nc1nc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)c2)nc2[nH]ncc12- InChIKey
PTWUHORTXDKVEH-UHFFFAOYSA-N- Molecular formula
- C18H13FN6O3S
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.07538763
Names & identifiers
- Preferred name
- 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
17720-50-2NSC2111624-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluorideDTXSID70309113NSC-2111624-{[3-(4-Amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl}benzene-1-sulfonyl fluoride
Database identifiers
- CAS
17720-50-2- PubChem CID
- 309017
- DTXSID
DTXSID70309113
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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