1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate

HCID 5219366

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Basic information

CAS: 5746-38-3
Standard SMILES: Cc1ccc(C(=O)C(C)OC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIKey: KAMPRXHQHOJEOJ-UHFFFAOYSA-N
Molecular formula: C19H19ClO5S
Average molar mass: 394.9 g/mol
Monoisotopic mass: 394.0641726

Names & identifiers

Preferred name: 1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate
IUPAC: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfonylpropanoate

Names & synonyms

1-(4-methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate5746-38-3[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfonylpropanoateSTK257877DTXSID80410901AKOS003316033AKOS0220723821-(4-Methylphenyl)-1-oxopropan-2-yl 3-(4-chlorobenzene-1-sulfonyl)propanoate

Database identifiers

CAS: 5746-38-3
PubChem CID: 5219366
DTXSID: DTXSID80410901

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 85.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 582

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