Basic information
- Standard SMILES
CC(C)c1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc1- InChIKey
KOZLFFQOEMJNFN-UHFFFAOYSA-N- Molecular formula
- C17H16N4O4S2
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- 5-Isopropyl-pyridine-2-sulfonic acid [4-(3-nitro-phenyl)-thiazol-2-yl]-amide
- IUPAC
- N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyridine-2-sulfonamide
Names & synonyms
KOZLFFQOEMJNFN-UHFFFAOYSA-N5-isopropyl-pyridine-2-sulfonic acid [4-(3-nitro-phenyl)-thiazol-2-yl]-amide
Database identifiers
- PubChem CID
- 86753754
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
Related reactions
3 records
Compound notes
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