Basic information
- CAS
173908-56-0- Standard SMILES
CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC=O- InChIKey
UAAYCFMPECWIOA-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O5S
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.0233704
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-(formylamino)phenyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 1-(5-chloro-2-formamidophenyl)sulfonylpyrrole-2-carboxylate
Names & synonyms
173908-56-01H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-(formylamino)phenyl)sulfonyl)-, ethyl esterEthyl 1-(5-chloro-2-formamidophenyl)sulfonyl)-1H-pyrrole-2-carboxylateEthyl 1-[5-chloro-2-formamidophenyl)sulfonyl]-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-[[5-chloro-2-(formylamino)phenyl]sulfonyl]-, ethyl esterPyrrolyl Aryl Sulfone (PAS) 8rBDBM2343CHEMBL357327DTXSID00169727ethyl 1-(5-chloro-2-formamido-phenyl)sulfonylpyrrole-2-carboxylateEthyl 1-(5-chloro-2-formamidobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylateethyl 1-[(5-chloro-2-formamidobenzene)sulfonyl]-1H-pyrrole-2-carboxylate
Show more names
Ethyl 1-[(5-Chloro-2-formamidophenyl)sulfonyl]-1Hpyrrole-2-carboxylate
Database identifiers
- CAS
173908-56-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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