C18H14Cl2N2O4S
Basic information
- CAS
1025151-93-2- Standard SMILES
CCOC(=O)c1cccc(NC=C(C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1- InChIKey
ZRTXKOBGEJTJFA-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O4S
- Average molar mass
- 425.3 g/mol
Names & identifiers
- Preferred name
- C18H14Cl2N2O4S
- IUPAC
- ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonylethenyl]amino]benzoate
- English name
- Ethyl 3-((2-((2,5-dichlorophenyl)sulfonyl)-2-cyanovinyl)amino)benzoate
- Molecular formula
- C18H14Cl2N2O4S
- Molecular weight
- 425.29
Names & synonyms
C18H14Cl2N2O4SARB15193ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonyl-vinyl]amino]benzoateEthyl 3-((2-((2,5-dichlorophenyl)sulfonyl)-2-cyanovinyl)amino)benzoateethyl 3-{[(1E)-2-cyano-2-(2,5-dichlorobenzenesulfonyl)eth-1-en-1-yl]amino}benzoateBenzoic acid, 3-[[2-cyano-2-[(2,5-dichlorophenyl)sulfonyl]ethenyl]amino]-, ethyl ester
Database identifiers
- CAS
1025151-93-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Boiling point
- 598.8 · 598.8±50.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- pka
- -4.02 · -4.02±0.70(Predicted)
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Compound notes
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