Basic information
- CAS
25349-34-2- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2Cl)n1.O=S(=O)(O)O- InChIKey
RVYGSIZHQOVSGE-UHFFFAOYSA-N- Molecular formula
- C23H19Cl3FN5O9S3
- Average molar mass
- 731 g/mol
- Monoisotopic mass
- 728.939452
Names & identifiers
- Preferred name
- 4-[[3-Chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]sulfamoyl]benzenesulfonyl fluoride;sulfuric acid
- IUPAC
- 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]sulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
25349-34-2NSC121522SCHEMBL7804578DTXSID50329415NSC-121522Sulfuric acid--4-[(3-chloro-4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)sulfamoyl]benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25349-34-2- PubChem CID
- 420177
- DTXSID
DTXSID50329415
Properties
Computed structural properties
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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