1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, propyl
Basic information
- CAS
173908-36-6- Standard SMILES
CCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N- InChIKey
SMOKWPAQTJHXEP-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O4S
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.0441058
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, propyl
- IUPAC
- propyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Names & synonyms
173908-36-61H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, propyln-Propyl 1-((2-Amino-5-chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylaten-Propyl 1-[(2-Amino-5-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-[(2-amino-5-chlorophenyl)sulfonyl]-, propylPyrrolyl Aryl Sulfone (PAS) 8fBDBM2340CHEMBL356611DTXSID20169709propyl 1-(2-amino-5-chloro-phenyl)sulfonylpyrrole-2-carboxylaten-Propyl 1-[(2-Amino-5-chlorophenyl)sulfonyl]-1Hpyrrole-2-carboxylatePropyl 1-(2-amino-5-chlorobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate
Show more names
propyl 1-[(2-amino-5-chlorobenzene)sulfonyl]-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
173908-36-6- PubChem CID
- 464852
- DTXSID
DTXSID20169709- ChEMBL
CHEMBL356611- Nikkaji
- J731.761A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…