1-Methyl-N-(2-methylphenyl)-4-nitro-1H-imidazole-5-sulfonamide
Basic information
- CAS
80348-62-5- Standard SMILES
Cc1ccccc1NS(=O)(=O)c1c([N+](=O)[O-])ncn1C- InChIKey
YJCKWPQUELOFRA-UHFFFAOYSA-N- Molecular formula
- C11H12N4O4S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.05792605
Names & identifiers
- Preferred name
- 1-Methyl-N-(2-methylphenyl)-4-nitro-1H-imidazole-5-sulfonamide
- IUPAC
- 3-methyl-N-(2-methylphenyl)-5-nitroimidazole-4-sulfonamide
Names & synonyms
80348-62-5NSC46511Oprea1_071331DTXSID1010011771-Methyl-N-(2-methylphenyl)-4-nitro-1H-imidazole-5-sulfonamideNSC-46511DS-0143013-methyl-N-(2-methylphenyl)-5-nitro-imidazole-4-sulfonamide
Database identifiers
- CAS
80348-62-5- PubChem CID
- 240368
- DTXSID
DTXSID101001177
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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