4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)ethoxy)benzene-1-sulfonyl fluoride
Basic information
- CAS
20110-66-1- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1- InChIKey
MHFIVUKREFWNBG-UHFFFAOYSA-N- Molecular formula
- C19H21ClFN5O4S
- Average molar mass
- 469.9 g/mol
- Monoisotopic mass
- 469.0986812
Names & identifiers
- Preferred name
- 4-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)ethoxy)benzene-1-sulfonyl fluoride
- IUPAC
- 4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethoxy]benzenesulfonyl fluoride
Names & synonyms
20110-66-14-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)ethoxy)benzene-1-sulfonyl fluoride4-{2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethoxy}benzene-1-sulfonyl fluorideNSC212213CHEMBL421374DTXSID40298489NSC-212213SB736054-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)ethoxy)benzene-1-sulfonylfluoride
Database identifiers
- CAS
20110-66-1- PubChem CID
- 276174
- DTXSID
DTXSID40298489- ChEMBL
CHEMBL421374
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 796
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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