Basic information
- Standard SMILES
COC(=O)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
QFBPZSCBFSLXPX-UHFFFAOYSA-N- Molecular formula
- C15H13N3O8S
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- Methyl 4-({[(2,4-dinitrophenyl)sulfonyl]amino}methyl)benzoate
- IUPAC
- methyl 4-[[(2,4-dinitrophenyl)sulfonylamino]methyl]benzoate
Names & synonyms
SCHEMBL3641949QFBPZSCBFSLXPX-UHFFFAOYSA-NMethyl 4-({[(2,4-dinitrophenyl)sulfonyl]amino}methyl)benzoate
Database identifiers
- PubChem CID
- 59627340
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 658
Related reactions
6 records
Compound notes
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