N-[2-(4-Chloro-2-nitro-phenylamino)-ethyl]-benzenesulfonamide
Basic information
- CAS
5478-49-9- Standard SMILES
O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccccc1- InChIKey
BNFUQHXBLOXZCU-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O4S
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0393548
Names & identifiers
- Preferred name
- N-[2-(4-Chloro-2-nitro-phenylamino)-ethyl]-benzenesulfonamide
- IUPAC
- N-[2-(4-chloro-2-nitroanilino)ethyl]benzenesulfonamide
Names & synonyms
5478-49-9N-[2-(4-Chloro-2-nitro-phenylamino)-ethyl]-benzenesulfonamideN-[2-(4-Chloro-2-nitroanilino)ethyl]benzenesulfonamideZINC4413888N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}benzenesulfonamideN-(2-{4-chloro-2-nitroanilino}ethyl)benzenesulfonamideSMR000171443MLS000547794CHEMBL1328367DTXSID60345323BNFUQHXBLOXZCU-UHFFFAOYSA-NMFCD00493212
Show more names
STK000143ZINC04413888AKOS000424031ZINC000004413888EU-0051062AG-205/40148759SR-01000511684SR-01000511684-1
Database identifiers
- CAS
5478-49-9- PubChem CID
- 603755
- DTXSID
DTXSID60345323- ChEMBL
CHEMBL1328367
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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