Basic information
- CAS
325813-22-7- Standard SMILES
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cc(Cl)ccc1Cl- InChIKey
BXOUIRJZACBAEI-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3O4S
- Average molar mass
- 336.15 g/mol
- Monoisotopic mass
- 334.9534323
Names & identifiers
- Preferred name
- 1-(2,5-Dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
- IUPAC
- 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
Names & synonyms
1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole325813-22-71-((2,5-dichlorophenyl)sulfonyl)-2-methyl-5-nitro-1H-imidazole1-[(2,5-dichlorophenyl)sulfonyl]-2-methyl-5-nitro-1H-imidazoleCambridge id 6391349Oprea1_261676Oprea1_527920MLS001207966CHEMBL1901591DTXSID401323071HMS2849G181-(2,5-Dichloro-benzenesulfonyl)-2-methyl-5-nitro-1H-imidazole
Show more names
STK832440AKOS000597463SMR000516177ST508093471-[(2,5-dichlorophenyl)sulfonyl]-2-methyl-5-nitroimidazole1-(2,5-Dichlorobenzene-1-sulfonyl)-2-methyl-5-nitro-1H-imidazole
Database identifiers
- CAS
325813-22-7- PubChem CID
- 775488
- DTXSID
DTXSID401323071- ChEMBL
CHEMBL1901591
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 478
Experimental & physicochemical properties
Solubility40.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…