Benzamide, 2,2'-dithiobis(N-(4-((acetylamino)sulfonyl)phenyl)-

HCID 462932

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

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

5 records

Compound notes

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