Basic information
- CAS
206256-32-8- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1N- InChIKey
YLPOCIPTIQBWAU-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O4S
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.0441058
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-((2-aminophenyl)sulfonyl)-5-chloro-, ethyl ester
- IUPAC
- ethyl 3-(2-aminophenyl)sulfonyl-5-chloro-1H-indole-2-carboxylate
Names & synonyms
206256-32-8Ethyl 3-((2-aminophenyl)sulfonyl)-5-chloro-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-((2-aminophenyl)sulfonyl)-5-chloro-, ethyl esterethyl 3-[(2-aminophenyl)sulfonyl]-5-chloro-1h-indole-2-carboxylateEthyl 3-((2-aminophenyl)sulfonyl)-5-chloroindole-2-carboxylateEthyl 3-[(2-aminophenyl)sulfonyl]-5-chloroindole-2-carboxylate1H-Indole-2-carboxylic acid, 3-[(2-aminophenyl)sulfonyl]-5-chloro-, ethyl esterethyl 3-(2-aminophenyl)sulfonyl-5-chloro-1H-indole-2-carboxylateCHEMBL83393DTXSID10174645Ethyl 3-(2-aminobenzene-1-sulfonyl)-5-chloro-1H-indole-2-carboxylate
Database identifiers
- CAS
206256-32-8- PubChem CID
- 469733
- DTXSID
DTXSID10174645- ChEMBL
CHEMBL83393
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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