N-[(4-sulfamoylphenyl)methyl]-2-[[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]disulfanyl]benzamide

HCID 465369
Substructure searchFind similar structures

Basic information

Standard SMILES
NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SSc2ccccc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIKey
FZCAXSSVBWXJNX-UHFFFAOYSA-N
Molecular formula
C28H26N4O6S4
Average molar mass
642.8 g/mol
Monoisotopic mass
642.07351926

Names & identifiers

Preferred name
N-[(4-sulfamoylphenyl)methyl]-2-[[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]disulfanyl]benzamide
IUPAC
N-[(4-sulfamoylphenyl)methyl]-2-[[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]disulfanyl]benzamide

Names & synonyms

CHEMBL169630SCHEMBL8376096FZCAXSSVBWXJNX-UHFFFAOYSA-NN-[(4-sulfamoylphenyl)methyl]-2-[[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl]disulfanyl]benzamide2,2'-Dithiobis{N-[4-(aminosulfonyl)benzyl]benzamide}2,2'-Dithiobis[N-[[4-(aminosulfonyl)phenyl]methy]benzamide]2.2'-Dithiobis[N-[[4-(aminosulfonyl)phenyl]methy]-benzamide]

Database identifiers

PubChem CID
465369
ChEMBL
CHEMBL169630
Nikkaji
J1.060.731K

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
246 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
42

Related reactions

2 records
New reaction record

Linked notes

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