(2,5-Difluorophenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide
Basic information
- CAS
5491-19-0- Standard SMILES
C=CC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(F)ccc2F)c1- InChIKey
TWQVAUCRDCGFGV-UHFFFAOYSA-N- Molecular formula
- C20H15F2N5O2S
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.09145224
Names & identifiers
- Preferred name
- (2,5-Difluorophenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide
- IUPAC
- (2,5-difluorophenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide
Names & synonyms
5491-19-0(2,5-difluorophenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanideDTXSID90366586AKOS034446702T5224808Z55702476(2,5-Difluorobenzene-1-sulfonyl){3-[3-(prop-2-en-1-yl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}azanide
Database identifiers
- CAS
5491-19-0- PubChem CID
- 2113449
- DTXSID
DTXSID90366586
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
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Related reactions
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Compound notes
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