Basic information
- CAS
47773-39-7- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCc2ccc(NC(=O)c3cccc(S(=O)(=O)F)c3)cc2)n1- InChIKey
OJXIFKVXUALFEB-UHFFFAOYSA-N- Molecular formula
- C25H21ClFN5O3S
- Average molar mass
- 526 g/mol
- Monoisotopic mass
- 525.1037666
Names & identifiers
- Preferred name
- 3-[[4-[2-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
47773-39-7NSC1596983-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluorideDTXSID40329808NSC-1596983-[(4-{2-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl}phenyl)carbamoyl]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
47773-39-7- PubChem CID
- 423980
- DTXSID
DTXSID40329808
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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