Basic information
- Standard SMILES
CS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1- InChIKey
NCKDSHWIAXTZDM-UHFFFAOYSA-N- Molecular formula
- C9H13N3O4S
- Average molar mass
- 259.28 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-nitroanilino)ethyl]methanesulfonamide
- IUPAC
- N-[2-(4-nitroanilino)ethyl]methanesulfonamide
Names & synonyms
CBMicro_020931N-[2-(4-nitroanilino)ethyl]methanesulfonamideCambridge id 5470856N-{2-[(4-nitrophenyl)amino]ethyl}methanesulfonamideSCHEMBL4818387NCKDSHWIAXTZDM-UHFFFAOYSA-NCCG-8576STK171869AKOS000425795416875-49-5BIM-0020822.P001N-[2-(4-nitrophenylamino)ethyl]methanesulfonamide
Show more names
Z57319397
Database identifiers
- PubChem CID
- 2847338
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Related reactions
2 records
Compound notes
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