Basic information
- CAS
117561-94-1- Standard SMILES
Cc1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1- InChIKey
PDFQBOINVLVHBJ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.06742811
Names & identifiers
- Preferred name
- N-(2,5-dimethylphenyl)-2-nitrobenzenesulfonamide
- IUPAC
- N-(2,5-dimethylphenyl)-2-nitrobenzenesulfonamide
Names & synonyms
117561-94-1N-(2,5-dimethylphenyl)-2-nitrobenzenesulfonamideBenzenesulfonamide, N-(2,5-dimethylphenyl)-2-nitro-N-(2,5-Dimethylphenyl)-2-nitrobenzene-1-sulfonamideSCHEMBL3947043DTXSID00354696PDFQBOINVLVHBJ-UHFFFAOYSA-NSTK083360AKOS002935602ST50693135(2,5-dimethylphenyl)[(2-nitrophenyl)sulfonyl]amine2-nitro-N-(2,5-dimethyl-phenyl)-benzenesulfonamide
Show more names
Z45613322
Database identifiers
- CAS
117561-94-1- PubChem CID
- 779183
- DTXSID
DTXSID00354696
Properties
Computed structural properties
- XLogP
- 3
- 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
6 records
Compound notes
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