Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2cc3ccccc3s2)c([N+](=O)[O-])c1- InChIKey
DTUGXLDSBDUYJZ-UHFFFAOYSA-N- Molecular formula
- C21H17N3O7S3
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- Benzo[b]thiophene-2-sulfonic acid [2-(4-methoxy-2-nitro-benzenesulfonylamino)phenyl]-amide
- IUPAC
- N-[2-[(4-methoxy-2-nitrophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide
Names & synonyms
SCHEMBL8267334DTUGXLDSBDUYJZ-UHFFFAOYSA-Nbenzo[b]thiophene-2-sulfonic acid [2-(4-methoxy-2-nitro-benzenesulfonylamino)phenyl]-amide
Database identifiers
- PubChem CID
- 11613294
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 929
Related reactions
2 records
Compound notes
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