Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N=S(C)c2ccc([N+](=O)[O-])cc2)nc1- InChIKey
FMRVFYGNPZBAHC-UHFFFAOYSA-N- Molecular formula
- C13H13N3O4S2
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- (RS)-S-Methyl-S-(4-nitrophenyl)-N-[(5-methyl-2-pyridyl)sulphonyl]sulphimide
- IUPAC
- 5-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]pyridine-2-sulfonamide
Names & synonyms
SCHEMBL1775120SCHEMBL1775122FMRVFYGNPZBAHC-UHFFFAOYSA-N(RS)-S-Methyl-S-(4-nitrophenyl)-N-[(5-methyl-2-pyridyl)sulphonyl]sulphimide
Database identifiers
- PubChem CID
- 59683154
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
Loading…