1H-Pyrrole, 2-acetyl-1-((2-nitrophenyl)sulfonyl)-
Basic information
- CAS
173908-12-8- Standard SMILES
CC(=O)c1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
JFVAYFMVEJXXAS-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5S
- Average molar mass
- 294.29 g/mol
- Monoisotopic mass
- 294.0310426
Names & identifiers
- Preferred name
- 1H-Pyrrole, 2-acetyl-1-((2-nitrophenyl)sulfonyl)-
- IUPAC
- 1-[1-(2-nitrophenyl)sulfonylpyrrol-2-yl]ethanone
Names & synonyms
173908-12-81H-Pyrrole, 2-acetyl-1-((2-nitrophenyl)sulfonyl)-1-((2-Nitrophenyl)sulfonyl)-2-acetyl-1H-pyrrole1-[(2-Nitrophenyl)sulfonyl]-2-acetyl-1H-pyrrole1H-Pyrrole, 2-acetyl-1-[(2-nitrophenyl)sulfonyl]-1-[1-(2-nitrophenyl)sulfonylpyrrol-2-yl]ethanoneCHEMBL147512DTXSID401696851-[1-(2-Nitrobenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
Database identifiers
- CAS
173908-12-8- PubChem CID
- 464707
- DTXSID
DTXSID40169685- ChEMBL
CHEMBL147512- Nikkaji
- J873.184E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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