Basic information
- CAS
118-84-3- Standard SMILES
O=S(=O)(c1ccc(NC(CC(c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1)c1ccc(NC(CC(c2ccccc2)S(=O)(=O)O)S(=O)(=O)O)cc1- InChIKey
HCCUQCPVNVAHMV-UHFFFAOYSA-N- Molecular formula
- C30H32N2O14S5
- Average molar mass
- 804.9 g/mol
- Monoisotopic mass
- 804.04570957
Overview
Solasulfone is a sulfonamide.
Names & identifiers
- Preferred name
- Phenopryldiasulfone
- IUPAC
- 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid
Names & synonyms
phenopryldiasulfoneSolasulfone free acid8AZ283GK93118-84-3UNII-8AZ283GK931,1'-(Sulfonylbis(p-phenylimino)bis-(3-phenyl-1,3-propanedisulfonic acid)CHEMBL2110785SCHEMBL14495629DTXSID50861789CHEBI:1358871-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid1,1'-[Sulfonylbis(4,1-phenyleneazanediyl)]bis(3-phenylpropane-1,3-disulfonic acid)
Show more names
1,1'-{Sulfonylbis[(4,1-phenylene)azanediyl]}bis(3-phenylpropane-1,3-disulfonic acid)1,3-Propanedisulfonic acid, 1,1'-(sulfonylbis(p-phenyleneimino))bis(3-phenyl-1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfo-propyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid
Database identifiers
- CAS
118-84-3、133-65-3- PubChem CID
- 8627
- DTXSID
DTXSID50861789- ChEMBL
CHEMBL2110785- ChEBI
CHEBI:135887- UNII
- 8AZ283GK93
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 318 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 16
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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