(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
Basic information
- CAS
57066-12-3- Standard SMILES
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1- InChIKey
ULZVGZLJSXTZDG-UHFFFAOYSA-N- Molecular formula
- C17H13Cl5N2O5S
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 531.898781
Names & identifiers
- Preferred name
- (2,3,4,5,6-Pentachlorophenyl) 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
Names & synonyms
57066-12-3NSC146872DTXSID60972537NSC-146872(4-Methylbenzene-1-sulfonamido)-N-[2-oxo-2-(pentachlorophenoxy)ethyl]ethanimidic acid2-[(4-Methylbenzene-1-sulfonyl)amino]-N-[2-oxo-2-(pentachlorophenoxy)ethyl]ethanimidic acid
Database identifiers
- CAS
57066-12-3- PubChem CID
- 287286
- DTXSID
DTXSID60972537
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 698
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Compound notes
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