1-Methyl-4-{[4-(phenylsulfonyl)phenyl]sulfonyl}benzene
Basic information
- CAS
1774-27-2- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1- InChIKey
HRIQSMFQLWETLY-UHFFFAOYSA-N- Molecular formula
- C19H16O4S2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.04900133
Names & identifiers
- Preferred name
- 1-Methyl-4-{[4-(phenylsulfonyl)phenyl]sulfonyl}benzene
- IUPAC
- 1-[4-(benzenesulfonyl)phenyl]sulfonyl-4-methylbenzene
Names & synonyms
1774-27-21-methyl-4-{[4-(phenylsulfonyl)phenyl]sulfonyl}benzeneNSC140328Benzene,1-[(4-methylphenyl)sulfonyl]-4-(phenylsulfonyl)-DTXSID40300995NSC-140328DS-0099961-(Benzenesulfonyl)-4-(4-methylbenzene-1-sulfonyl)benzene
Database identifiers
- CAS
1774-27-2- PubChem CID
- 284495
- DTXSID
DTXSID40300995
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 620
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Compound notes
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