Basic information
- CAS
5966-39-2- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(NC(=O)c2ccco2)C3=O)cc1- InChIKey
UDGDNVDIAUWCLO-UHFFFAOYSA-N- Molecular formula
- C20H12N2O8S
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.03143652
Names & identifiers
- Preferred name
- 4-[2-(Furan-2-carbonylamino)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
- IUPAC
- 4-[2-(furan-2-carbonylamino)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
Names & synonyms
5966-39-2ST0568514-{[2-(2-furoylamino)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acidCambridge id 5966392CBMicro_039391Oprea1_075259Oprea1_129171DTXSID203672234-[2-(furan-2-carbonylamino)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acidAKOS000642660BIM-0039529.P0014-[2-(Furan-2-carboxamido)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Show more names
4-{[2-(2-furylcarbonylamino)-1,3-dioxobenzo[c]azolin-5-yl]sulfonyl}benzoic aci d
Database identifiers
- CAS
5966-39-2- PubChem CID
- 2248581
- DTXSID
DTXSID20367223
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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