Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
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Basic information
- CAS
173908-11-7- Standard SMILES
CCOC(=O)c1cccn1S(=O)(=O)c1ccccc1Cl- InChIKey
SLYHWYGJPHJCOK-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO4S
- Average molar mass
- 313.76 g/mol
- Monoisotopic mass
- 313.0175567
Names & identifiers
- Preferred name
- Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 1-(2-chlorophenyl)sulfonylpyrrole-2-carboxylate
- English name
- Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
- Molecular formula
- C13H12ClNO4S
- Molecular weight
- 313.76
Names & synonyms
173908-11-7Ethyl 1-[(2-Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylateEthyl 1-((2-Chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylateethyl 1-(2-chlorophenyl)sulfonylpyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-((2-chlorophenyl)sulfonyl)-, ethyl ester1H-Pyrrole-2-carboxylic acid, 1-[(2-chlorophenyl)sulfonyl]-, ethyl esterCHEMBL149530DTXSID80169684Ethyl 1-(2-chlorobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
173908-11-7- PubChem CID
- 464841
- DTXSID
DTXSID80169684- ChEMBL
CHEMBL149530- Nikkaji
- J731.747F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 471.8 · 471.8±51.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -13.53 · -13.53±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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