Basic information
- CAS
133230-04-3- Standard SMILES
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl- InChIKey
AKPPCQWEZACMAB-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2F3N5O6S
- Average molar mass
- 532.3 g/mol
- Monoisotopic mass
- 530.9993942
Names & identifiers
- Preferred name
- Benzenesulfonamide, 2-chloro-4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)amino)-N,N-diethyl-3,5-dinitro-
- IUPAC
- 2-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-diethyl-3,5-dinitrobenzenesulfonamide
Names & synonyms
133230-04-3Benzenesulfonamide, 2-chloro-4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)amino)-N,N-diethyl-3,5-dinitro-CHEMBL2268594DTXSID801580182-chloro-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-N,N-diethyl-3,5-dinitrobenzene-1-sulfonamide
Database identifiers
- CAS
133230-04-3- PubChem CID
- 183129
- DTXSID
DTXSID80158018- ChEMBL
CHEMBL2268594- Nikkaji
- J397.107D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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