Basic information
- CAS
51144-97-9- Standard SMILES
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)n1cccc1- InChIKey
NZZRUBKPFOEDEL-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O4S
- Average molar mass
- 286.69 g/mol
- Monoisotopic mass
- 285.9815056
Names & identifiers
- Preferred name
- 1-((4-Chloro-2-nitrophenyl)sulfonyl)-1H-pyrrole
- IUPAC
- 1-(4-chloro-2-nitrophenyl)sulfonylpyrrole
Names & synonyms
51144-97-91-((4-Chloro-2-nitrophenyl)sulfonyl)-1H-pyrrole1H-Pyrrole, 1-((4-chloro-2-nitrophenyl)sulfonyl)-1H-Pyrrole, 1-[(4-chloro-2-nitrophenyl)sulfonyl]-1-[(4-Chloro-2-nitrophenyl)sulfonyl]-1H-pyrroleCHEMBL357276DTXSID801991681-(4-chloro-2-nitro-phenyl)sulfonylpyrrole1-(4-Chloro-2-nitrobenzene-1-sulfonyl)-1H-pyrrole
Database identifiers
- CAS
51144-97-9- PubChem CID
- 464708
- DTXSID
DTXSID80199168- ChEMBL
CHEMBL357276- Nikkaji
- J665.500I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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