Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(C)cc2)n1- InChIKey
DJANMNVWOIMECN-UHFFFAOYSA-N- Molecular formula
- C14H14N2O5S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.06234272
Names & identifiers
- Preferred name
- 6-Methoxy-3-nitro-2-(toluene-4-sulfonylmethyl)-pyridine
- IUPAC
- 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]-3-nitropyridine
Names & synonyms
SCHEMBL6309320DJANMNVWOIMECN-UHFFFAOYSA-N6-methoxy-3-nitro-2-(toluene-4-sulfonylmethyl)-pyridine6-methoxy-3-nitro-2-(toluene-4-sulfonyl methyl)-pyridine
Database identifiers
- PubChem CID
- 13626514
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
5 records
Compound notes
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