Basic information
- Standard SMILES
CCOc1c(Nc2ccc(Cl)c(S(C)(=O)=O)c2O)c(=O)c1=O- InChIKey
GDBFKXAVVDPLDQ-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO6S
- Average molar mass
- 345.76 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chloro-2-hydroxy-3-methanesulfonyl-phenylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-(4-chloro-2-hydroxy-3-methylsulfonylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL1706775GDBFKXAVVDPLDQ-UHFFFAOYSA-N3-(4-Chloro-2-hydroxy-3-methanesulfonyl-phenylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 86641802
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 623
Related reactions
3 records
Compound notes
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