N-(4-((Benzothiazol-2-ylamino)sulfonyl)phenyl)(2-((2-(N-(4-((benzothiazol-2-ylamino)sulfonyl)phenyl)carbamoyl)phenyl)disulfanyl)phenyl)carboxamide
Basic information
- CAS
98064-10-9- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1- InChIKey
JIVHLQUIABJFIM-UHFFFAOYSA-N- Molecular formula
- C40H28N6O6S6
- Average molar mass
- 881.1 g/mol
- Monoisotopic mass
- 880.03945968
Names & identifiers
- Preferred name
- N-(4-((Benzothiazol-2-ylamino)sulfonyl)phenyl)(2-((2-(N-(4-((benzothiazol-2-ylamino)sulfonyl)phenyl)carbamoyl)phenyl)disulfanyl)phenyl)carboxamide
- IUPAC
- N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]-2-[[2-[[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
98064-10-9N-(4-((Benzothiazol-2-ylamino)sulfonyl)phenyl)(2-((2-(N-(4-((benzothiazol-2-ylamino)sulfonyl)phenyl)carbamoyl)phenyl)disulfanyl)phenyl)carboxamideN-{4-[(Benzothiazol-2-ylamino)sulfonyl]phenyl}(2-{[2-(N-{4-[(benzothiazol-2-ylamino)sulfonyl]phenyl}carbamoyl)phenyl]disulfanyl}phenyl)carboxamideCHEMBL299432DTXSID20243412N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]-2-[[2-[[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide2,2'-Disulfanediylbis(N-{4-[(1,3-benzothiazol-2-yl)sulfamoyl]phenyl}benzamide)
Database identifiers
- CAS
98064-10-9- PubChem CID
- 457475
- DTXSID
DTXSID20243412- ChEMBL
CHEMBL299432
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 300 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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