3-[2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid
Basic information
- CAS
21316-23-4- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1.CCS(=O)(=O)O- InChIKey
AOQGKQBBHAOCDG-UHFFFAOYSA-N- Molecular formula
- C21H29FN6O7S3
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.12438897
Names & identifiers
- Preferred name
- 3-[2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid
- IUPAC
- 3-[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethylsulfamoyl]benzenesulfonyl fluoride;ethanesulfonic acid
Names & synonyms
21316-23-4NSC118214DTXSID90297806NSC-118214Ethanesulfonic acid--3-({2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]ethyl}sulfamoyl)benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
21316-23-4- PubChem CID
- 273207
- DTXSID
DTXSID90297806
Properties
Computed structural properties
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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