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Basic information
- Standard SMILES
Cn1cnc([N+](=O)[O-])c1Sc1ccncc1S(N)(=O)=O- InChIKey
OBOZOHHRRSLGOD-UHFFFAOYSA-N- Molecular formula
- C9H9N5O4S2
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.00959613
Names & identifiers
- Preferred name
- 4-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-3-pyridinesulfonamide
- IUPAC
- 4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine-3-sulfonamide
Names & synonyms
NSC334219Oprea1_587397NSC-334219AJ-333/361160264-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-3-pyridinesulfonamide
Database identifiers
- PubChem CID
- 333418
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
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Compound notes
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