Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(Sc2ccc(C(=O)Nc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1- InChIKey
WVJGJAKRKWPZDP-UHFFFAOYSA-N- Molecular formula
- C20H16BrN3O5S2
- Average molar mass
- 522.4 g/mol
Names & identifiers
- Preferred name
- N-(4-Bromo-phenyl)-4-(4-methanesulfonylamino-phenylsulfanyl)-3-nitro-benzamide
- IUPAC
- N-(4-bromophenyl)-4-[4-(methanesulfonamido)phenyl]sulfanyl-3-nitrobenzamide
Names & synonyms
SCHEMBL1454676WVJGJAKRKWPZDP-UHFFFAOYSA-NN-(4-Bromo-phenyl)-4-(4-methanesulfonylamino-phenylsulfanyl)-3-nitro-benzamide
Database identifiers
- PubChem CID
- 67040318
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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