Basic information
- CAS
17119-22-1- Standard SMILES
Cc1ccc(S(=O)(=O)N=C2C=CC(=[N+]=[N-])C=C2S(=O)(=O)Nc2cc(C)ccc2C)cc1- InChIKey
IDWDMWURDJSQCO-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4S2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.09259748
Names & identifiers
- Preferred name
- N-[4-Diazo-2-[[(2,5-dimethylphenyl)amino]sulfonyl]-2,5-cyclohexadien-1-ylidene]-4-methylbenzenesulfonamide
- IUPAC
- 3-diazo-N-(2,5-dimethylphenyl)-6-(4-methylphenyl)sulfonyliminocyclohexa-1,4-diene-1-sulfonamide
Names & synonyms
IDWDMWURDJSQCO-UHFFFAOYSA-NDTXSID501110471N-[4-Diazo-2-[[(2,5-dimethylphenyl)amino]sulfonyl]-2,5-cyclohexadien-1-ylidene]-4-methylbenzenesulfonamide
Database identifiers
- CAS
17119-22-1- PubChem CID
- 86958
- DTXSID
DTXSID501110471
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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