Basic information
- Standard SMILES
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)c2cccnc12- InChIKey
BAXVMNWVFPMBSJ-UHFFFAOYSA-N- Molecular formula
- C16H9ClF3N3O4S
- Average molar mass
- 431.8 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-nitro-N-(5-trifluoromethyl-quinolin-8-yl)-benzenesulfonamide
- IUPAC
- 4-chloro-2-nitro-N-[5-(trifluoromethyl)quinolin-8-yl]benzenesulfonamide
Names & synonyms
4-Chloro-2-nitro-N-(5-trifluoromethyl-quinolin-8-yl)-benzenesulfonamideSCHEMBL11973179
Database identifiers
- PubChem CID
- 68183145
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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