| Molecular Formula | C9H12N2O4S |
| Canonicalized Compound | 1 |
| Compound Complexity | 322 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Rotatable Bond Count | 4 |
| Allowed IUPAC Name | 4-nitro-N-propyl-benzenesulfonamide |
| CAS-like Style IUPAC Name | 4-nitro-N-propylbenzenesulfonamide |
| Markup IUPAC Name | 4-nitro-<I>N</I>-propylbenzenesulfonamide |
| Preferred IUPAC Name | 4-nitro-N-propylbenzenesulfonamide |
| Systematic IUPAC Name | 4-nitro-N-propyl-benzenesulfonamide |
| Traditional IUPAC Name | 4-nitro-N-propyl-benzenesulfonamide |
| Standard InChI | InChI=1S/C9H12N2O4S/c1-2-7-10-16(14,15)9-5-3-8(4-6-9)11(12)13/h3-6,10H,2,7H2,1H3 |
| Standard InChIKey | WPVVWLXGHXMNMA-UHFFFAOYSA-N |
| XLogP3-AA Log P | 1.6 |
| Exact Mass | 244.05177804 |
| Molecular Weight | 244.27 |
| Canonical SMILES | CCCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Isomeric SMILES | CCCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Polar Surface Area Topological | 100 |
| MonoIsotopic Weight | 244.05177804 |
| Chemical Structure |  |
| Class | Specialty Materials |
