(3,5-Dimethyl-4-isoxazolyl)methyl 2-chloro-5-[[(4-chlorophenyl)-2-propen-1-ylamino]sulfonyl]benzoate
Basic information
- CAS
733043-42-0- Standard SMILES
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c(C)noc2C)c1- InChIKey
DAJNFKAXOAODJB-UHFFFAOYSA-N- Molecular formula
- C22H20Cl2N2O5S
- Average molar mass
- 495.4 g/mol
- Monoisotopic mass
- 494.0469983
Names & identifiers
- Preferred name
- (3,5-Dimethyl-4-isoxazolyl)methyl 2-chloro-5-[[(4-chlorophenyl)-2-propen-1-ylamino]sulfonyl]benzoate
- IUPAC
- (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
Names & synonyms
DTXSID201113876AKOS000875942(3,5-Dimethyl-4-isoxazolyl)methyl 2-chloro-5-[[(4-chlorophenyl)-2-propen-1-ylamino]sulfonyl]benzoate733043-42-0Z19520683(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoate
Database identifiers
- CAS
733043-42-0- PubChem CID
- 2436472
- DTXSID
DTXSID201113876
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
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Compound notes
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