Basic information
- CAS
173908-43-5- Standard SMILES
CCOC(=O)c1cccn1S(=O)(=O)c1cc(N)ccc1Cl- InChIKey
IHFITDMEZFEYOA-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O4S
- Average molar mass
- 328.77 g/mol
- Monoisotopic mass
- 328.0284558
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-((5-amino-2-chlorophenyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 1-(5-amino-2-chlorophenyl)sulfonylpyrrole-2-carboxylate
Names & synonyms
173908-43-51H-Pyrrole-2-carboxylic acid, 1-((5-amino-2-chlorophenyl)sulfonyl)-, ethyl esterEthyl 1-((2-chloro-5-aminophenyl)sulfonyl)-1H-pyrrole-2-carboxylateEthyl 1-[(2-chloro-5-aminophenyl)sulfonyl]-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-[(5-amino-2-chlorophenyl)sulfonyl]-, ethyl esterCHEMBL147509DTXSID90169716ethyl 1-(5-amino-2-chloro-phenyl)sulfonylpyrrole-2-carboxylateEthyl 1-(5-amino-2-chlorobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
173908-43-5- PubChem CID
- 464784
- DTXSID
DTXSID90169716- ChEMBL
CHEMBL147509
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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