1H-Pyrrole-2-carboxylic acid, 1-((2-chloro-5-nitrophenyl)sulfonyl)-, ethyl ester
Basic information
- CAS
173908-23-1- Standard SMILES
CCOC(=O)c1cccn1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl- InChIKey
OZKZBBVDHQLRHE-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O6S
- Average molar mass
- 358.75 g/mol
- Monoisotopic mass
- 358.0026349
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-((2-chloro-5-nitrophenyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 1-(2-chloro-5-nitrophenyl)sulfonylpyrrole-2-carboxylate
- English name
- ethyl 1-(2-chloro-5-nitro-phenyl)sulfonylpyrrole-2-carboxylate
- Molecular formula
- C13H11ClN2O6S
- Molecular weight
- 0
Names & synonyms
173908-23-1ethyl 1-(2-chloro-5-nitrophenyl)sulfonylpyrrole-2-carboxylateEthyl 1-((2-chloro-5-nitrophenyl)sulfonyl)-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-((2-chloro-5-nitrophenyl)sulfonyl)-, ethyl esterEthyl 1-[(2-chloro-5-nitrophenyl)sulfonyl]-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-[(2-chloro-5-nitrophenyl)sulfonyl]-, ethyl esterETHYL 1-(2-CHLORO-5-NITRO-PHENYL)SULFONYLPYRROLE-2-CARBOXYLATECHEMBL151529DTXSID50169696Ethyl 1-(2-chloro-5-nitrobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
173908-23-1- PubChem CID
- 464783
- DTXSID
DTXSID50169696- ChEMBL
CHEMBL151529
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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