Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1- InChIKey
XXJLIQQYTZWDPJ-UHFFFAOYSA-N- Molecular formula
- C28H24N2O6S4
- Average molar mass
- 612.8 g/mol
Names & identifiers
- Preferred name
- N-(4-methylsulfonylphenyl)-2-[[2-[(4-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
- IUPAC
- N-(4-methylsulfonylphenyl)-2-[[2-[(4-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis[N-[4-(methylsulfonyl)phenyl]benzamide]2,2'-Dithiobis{N-[4-(methylsulfonyl)phenyl]benzamide}SCHEMBL8665327XXJLIQQYTZWDPJ-UHFFFAOYSA-NN-(4-methylsulfonylphenyl)-2-[[2-[(4-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide2.2'-Dithiobis[N-[4-(methylsulfonyl)phenyl]benzamide]
Database identifiers
- PubChem CID
- 465351
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 985
Related reactions
3 records
Compound notes
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