1,1'-Biphenyl, 4,4'-bis[(4-fluorophenyl)sulfonyl]-
Basic information
- CAS
136012-52-7- Standard SMILES
O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1- InChIKey
NDTOCQNXMGILGR-UHFFFAOYSA-N- Molecular formula
- C24H16F2O4S2
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.04580766
Names & identifiers
- Preferred name
- 1,1'-Biphenyl, 4,4'-bis[(4-fluorophenyl)sulfonyl]-
- IUPAC
- 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene
- English name
- 1,1'-Biphenyl, 4,4'-bis[(4-fluorophenyl)sulfonyl]-
- Molecular formula
- C24H16F2O4S2
- Molecular weight
- 470.5082464
Names & synonyms
136012-52-71,1'-Biphenyl, 4,4'-bis[(4-fluorophenyl)sulfonyl]-1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzeneOprea1_041610CBDivE_012513SCHEMBL2006278DTXSID90367558AKOS0305356034,4'-bis[(4-fluorophenyl)sulfonyl]biphenyl4,4'-Bis(4-fluorobenzene-1-sulfonyl)-1,1'-biphenyl4,4'-Bis(4-fluorophenylsulfonyl)-1,1'-biphenyl
Database identifiers
- CAS
136012-52-7- PubChem CID
- 2274355
- DTXSID
DTXSID90367558- Nikkaji
- J469.452J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
Physicochemical properties
- InChI
- InChI=1S/C24H16F2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
- InChIKey
- NDTOCQNXMGILGR-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(S(C3=CC=C(F)C=C3)(=O)=O)C=C2)=CC=C(S(C2=CC=C(F)C=C2)(=O)=O)C=C1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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