Ethyl 4-{(3,3-diethoxy-2-hydroxypropyl)[(4-methylphenyl)sulfonyl]amino}benzoate

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Basic information

CAS: 5433-15-8
Standard SMILES: CCOC(=O)c1ccc(N(CC(O)C(OCC)OCC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey: AMCFRLYHGIADQW-UHFFFAOYSA-N
Molecular formula: C23H31NO7S
Average molar mass: 465.6 g/mol
Monoisotopic mass: 465.1821235

Names & identifiers

Preferred name: Ethyl 4-{(3,3-diethoxy-2-hydroxypropyl)[(4-methylphenyl)sulfonyl]amino}benzoate
IUPAC: ethyl 4-[(3,3-diethoxy-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzoate

Names & synonyms

5433-15-8ethyl 4-{(3,3-diethoxy-2-hydroxypropyl)[(4-methylphenyl)sulfonyl]amino}benzoateNSC10712DTXSID50278934NSC-10712DS-011033ETHYL 4-[(3,3-DIETHOXY-2-HYDROXY-PROPYL)-(4-METHYLPHENYL)SULFONYL-AMINO]BENZOATEEthyl 4-[(3,3-diethoxy-2-hydroxypropyl)(4-methylbenzene-1-sulfonyl)amino]benzoateEthyl 4-[N-(3,3-diethoxy-2-hydroxypropyl)-4-methylbenzene-1-sulfonamido]benzoate

Database identifiers

CAS: 5433-15-8
PubChem CID: 223249
DTXSID: DTXSID50278934

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 32
Formal charge: 0
Complexity: 644

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Compound notes

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