Undecanoic acid, 11-(((4-methoxyphenyl)sulfonyl)amino)-, ethyl ester

HCID 3070109

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Basic information

CAS: 85844-78-6
Standard SMILES: CCOC(=O)CCCCCCCCCCNS(=O)(=O)c1ccc(OC)cc1
InChIKey: LOAHNMPTABYMCW-UHFFFAOYSA-N
Molecular formula: C20H33NO5S
Average molar mass: 399.5 g/mol
Monoisotopic mass: 399.20794433

Names & identifiers

Preferred name: Undecanoic acid, 11-(((4-methoxyphenyl)sulfonyl)amino)-, ethyl ester
IUPAC: ethyl 11-[(4-methoxyphenyl)sulfonylamino]undecanoate

Names & synonyms

Undecanoic acid, 11-(((4-methoxyphenyl)sulfonyl)amino)-, ethyl esterEthyl 11-(((4-methoxyphenyl)sulfonyl)amino)undecanoate85844-78-6DTXSID40235112RefChem:386892DTXCID40157603Ethyl 11-(4-methoxybenzene-1-sulfonamido)undecanoate

Database identifiers

CAS: 85844-78-6
PubChem CID: 3070109
DTXSID: DTXSID40235112

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 90.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 16
Heavy atoms: 27
Formal charge: 0
Complexity: 481

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