Basic information
- CAS
83487-86-9- Standard SMILES
O=C(O)CCCCCCCCCCNS(=O)(=O)c1ccc(I)cc1- InChIKey
ZBIKXIMMCHHUBR-UHFFFAOYSA-N- Molecular formula
- C17H26INO4S
- Average molar mass
- 467.4 g/mol
- Monoisotopic mass
- 467.06273
Overview
potential myocardial imaging agent; structure given in first source
Names & identifiers
- Preferred name
- N-11-(4-iodophenylsulfonamide)undecanoic acid
- IUPAC
- 11-[(4-iodophenyl)sulfonylamino]undecanoic acid
- English name
- N-11-(4-iodophenylsulfonamide)undecanoic acid
- Molecular formula
- C17H26INO4S
- Molecular weight
- 467.36211
Names & synonyms
PipsauN-11-(4-Iodophenylsulfonamide)undecanoic acid83487-86-9DTXSID70232371N-11-(para-Iodophenylsulfonamide)undecanoic acidUndecanoic acid, 11-(((4-iodophenyl)sulfonyl)amino)-RefChem:162453DTXCID7015486211-[(4-iodophenyl)sulfonylamino]undecanoic acid11-(4-Iodobenzene-1-sulfonamido)undecanoic acid
Database identifiers
- CAS
83487-86-9- PubChem CID
- 134239
- DTXSID
DTXSID70232371
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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