Undecanoic acid, 11-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-, ethyl ester

HCID 3070107

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Basic information

CAS: 85844-56-0
Standard SMILES: CCOC(=O)CCCCCCCCCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1OC
InChIKey: URWHOGKGPCDZLL-UHFFFAOYSA-N
Molecular formula: C20H31ClN2O7S
Average molar mass: 479 g/mol
Monoisotopic mass: 478.1540502

Names & identifiers

Preferred name: Undecanoic acid, 11-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-, ethyl ester
IUPAC: ethyl 11-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]undecanoate

Names & synonyms

Ethyl 11-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)undecanoate85844-56-0Undecanoic acid, 11-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-, ethyl esterDTXSID20235110RefChem:386893DTXCID20157601Ethyl 11-(5-chloro-2-methoxy-4-nitrobenzene-1-sulfonamido)undecanoate

Database identifiers

CAS: 85844-56-0
PubChem CID: 3070107
DTXSID: DTXSID20235110

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 136 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 31
Formal charge: 0
Complexity: 636

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