Undecanoic acid, 11-(((3-nitrophenyl)sulfonyl)amino)-, ethyl ester
Basic information
- CAS
85844-69-5- Standard SMILES
CCOC(=O)CCCCCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1- InChIKey
WMPUJGMAUZTNSN-UHFFFAOYSA-N- Molecular formula
- C19H30N2O6S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.18245785
Names & identifiers
- Preferred name
- Undecanoic acid, 11-(((3-nitrophenyl)sulfonyl)amino)-, ethyl ester
- IUPAC
- ethyl 11-[(3-nitrophenyl)sulfonylamino]undecanoate
Names & synonyms
Ethyl 11-(((3-nitrophenyl)sulfonyl)amino)undecanoateUndecanoic acid, 11-(((3-nitrophenyl)sulfonyl)amino)-, ethyl ester85844-69-5DTXSID80235111RefChem:386890DTXCID80157602Ethyl 11-(3-nitrobenzene-1-sulfonamido)undecanoate
Database identifiers
- CAS
85844-69-5- PubChem CID
- 3070108
- DTXSID
DTXSID80235111
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
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Related reactions
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Compound notes
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