N-(2-methylsulfonylphenyl)-2-[[2-[(2-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide

HCID 468892

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Basic information

CAS: 193896-88-7
Standard SMILES: CS(=O)(=O)c1ccccc1NC(=O)c1ccccc1SSc1ccccc1C(=O)Nc1ccccc1S(C)(=O)=O
InChIKey: DZKKUYCDPDRODR-UHFFFAOYSA-N
Molecular formula: C28H24N2O6S4
Average molar mass: 612.8 g/mol
Monoisotopic mass: 612.05172118

Names & identifiers

Preferred name: N-(2-methylsulfonylphenyl)-2-[[2-[(2-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
IUPAC: N-(2-methylsulfonylphenyl)-2-[[2-[(2-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Names & synonyms

N-(2-methylsulfonylphenyl)-2-[[2-[(2-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamideDTXSID101032128193896-88-72,2'-Dithiobis(N-(2-(methylsulfonyl)phenyl)benzamide)N-(2-(Methylsulfonyl)phenyl)(2-((2-(N-(2-(methylsulfonyl)phenyl)carbamoyl)phenyl)disulfanyl)phenyl)formamide

Database identifiers

CAS: 193896-88-7
PubChem CID: 468892
DTXSID: DTXSID101032128

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 194 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 40
Formal charge: 0
Complexity: 1,000

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