Basic information
- CAS
25288-44-2- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2Cl)n1.O=S(=O)(O)O- InChIKey
GBFUZVYGIBHLOH-UHFFFAOYSA-N- Molecular formula
- C24H21Cl3FN5O9S3
- Average molar mass
- 745 g/mol
- Monoisotopic mass
- 742.955102
Names & identifiers
- Preferred name
- 4-[[3-Chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acid
- IUPAC
- 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride;sulfuric acid
Names & synonyms
25288-44-2NSC1215254-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylsulfamoyl]benzenesulfonyl fluoride; sulfuric acidDTXSID30329418NSC-121525Sulfuric acid--4-{[(3-chloro-4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
25288-44-2- PubChem CID
- 420183
- DTXSID
DTXSID30329418
Properties
Computed structural properties
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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