| CAS Number | 925886-35-7 |
| Catalog Number | AG019EMF(AGN-PC-0WG4BH) |
| Chemical Name | 4-Nitro-N-(3-Oxo-3-(Pyrrolidin-1-Yl)Propyl)Benzenesulfonamide |
| IUPAC Name | 4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide |
| InChI | InChI=1S/C13H17N3O5S/c17-13(15-9-1-2-10-15)7-8-14-22(20,21)12-5-3-11(4-6-12)16(18)19/h3-6,14H,1-2,7-10H2 |
| InChI Key | VNFCZUMBJHYQBH-UHFFFAOYSA-N |
| MDL Number | MFCD09432956 |
| Molecular Formula | C13H17N3O5S |
| Molecular Weight | 327.3562 |
| SMILES | [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCCC1 |
| Synonyms | 4-Nitro-N-(3-oxo-3-(pyrrolidin-1-yl)propyl)benzenesulfonamide,
925886-35-7,
ZINC9343342,
MFCD09432956,
CS-0037509,
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| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.355g/mol |
| Monoisotopic Mass | 327.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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