Basic information
- CAS
206256-33-9- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(Cl)ccc1N- InChIKey
BYGDZLIDXHXKGA-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N2O4S
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.0051335
Names & identifiers
- Preferred name
- Ethyl 3-[(2-amino-5-chlorophenyl)sulfonyl]-5-chloro-1h-indole-2-carboxylate
- IUPAC
- ethyl 3-(2-amino-5-chlorophenyl)sulfonyl-5-chloro-1H-indole-2-carboxylate
Names & synonyms
206256-33-9ethyl 3-[(2-amino-5-chlorophenyl)sulfonyl]-5-chloro-1h-indole-2-carboxylateEthyl 3-((2-amino-5-chlorophenyl)sulfonyl)-5-chloro-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-((2-amino-5-chlorophenyl)sulfonyl)-5-chloro-, ethyl esterEthyl 3-((2-amino-5-chlorophenyl)sulfonyl)-5-chloroindole-2-carboxylateEthyl 3-[(2-amino-5-chlorophenyl)sulfonyl]-5-chloroindole-2-carboxylate1H-Indole-2-carboxylic acid, 3-[(2-amino-5-chlorophenyl)sulfonyl]-5-chloro-, ethyl esterCHEMBL83833DTXSID70174646ethyl 3-(2-amino-5-chloro-phenyl)sulfonyl-5-chloro-1H-indole-2-carboxylateEthyl 3-(2-amino-5-chlorobenzene-1-sulfonyl)-5-chloro-1H-indole-2-carboxylate
Database identifiers
- CAS
206256-33-9- PubChem CID
- 469734
- DTXSID
DTXSID70174646- ChEMBL
CHEMBL83833
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…