Basic information
- CAS
171744-40-4- Standard SMILES
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1- InChIKey
OTYIADUBGFZFSV-UHFFFAOYSA-N- Molecular formula
- C30H26N4O8S4
- Average molar mass
- 698.8 g/mol
- Monoisotopic mass
- 698.06334779
Names & identifiers
- Preferred name
- Benzamide, 2,2'-dithiobis(N-(4-((acetylamino)sulfonyl)phenyl)-
- IUPAC
- N-[4-(acetylsulfamoyl)phenyl]-2-[[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide
- English name
- DIBA-2
- Molecular formula
- C30H26N4O8S4
- Molecular weight
- 698.81
Names & synonyms
DIBA-2171744-40-4Benzamide, 2,2'-dithiobis(N-(4-((acetylamino)sulfonyl)phenyl)-PD 156202Benzamide, 2,2'-dithiobis[N-[4-[(acetylamino)sulfonyl]phenyl]-OTYIADUBGFZFSV-UHFFFAOYSA-NN-[4-(acetylsulfamoyl)phenyl]-2-[[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamideCHEMBL355871SCHEMBL6225889DTXSID501691562,2'-Dithiobis(N-(4-(acetylsulfamoyl)phenyl)benzamide)2,2'-Disulfanediylbis{N-[4-(acetylsulfamoyl)phenyl]benzamide}
Show more names
Benzamide, 2,2'-dithiobis[N-[4-[(acetylamino)sulfonyl]phenyl]- (9CI)
2,2'-Dithiobis [N-[4-[(acetylamino)sulfonyl]phenyl]benzamide]2,2'-Dithiobis[N-[4-[(acetylamino)sulfonyl]phenyl] benzamide]2,2'-Dithiobis[N-[4-[(acetylamino)sulfonyl]phenyl]-benzamide]2,2'-Dithiobis[N-[4-[(acetylamino)sulfonyl]phenyl]benzamide]
Database identifiers
- CAS
171744-40-4- PubChem CID
- 462932
- DTXSID
DTXSID50169156- ChEMBL
CHEMBL355871- Nikkaji
- J711.988G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 252 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,200
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
5 records
Compound notes
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