Basic information
- CAS
182997-71-3- Standard SMILES
CNc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C- InChIKey
ISIOGIWLGMJLRA-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.06742811
Names & identifiers
- Preferred name
- 4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline
- IUPAC
- N,2-dimethyl-4-(2-nitrophenyl)sulfonylaniline
Names & synonyms
4-(2-Nitrophenylsulfonyl)-N,2-dimethylaniline182997-71-3SCHEMBL6535792DTXSID00332772N,2-dimethyl-4-(2-nitrophenyl)sulfonyl-anilineN,2-Dimethyl-4-(2-nitrobenzene-1-sulfonyl)aniline
Database identifiers
- CAS
182997-71-3- PubChem CID
- 465622
- DTXSID
DTXSID00332772
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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