| CAS Number | 1087784-42-6 |
| Catalog Number | AG019MW2 |
| Chemical Name | 4-(3-nitrobenzenesulfonyl)piperazin-2-one |
| IUPAC Name | 4-(3-nitrophenyl)sulfonylpiperazin-2-one |
| InChI | InChI=1S/C10H11N3O5S/c14-10-7-12(5-4-11-10)19(17,18)9-3-1-2-8(6-9)13(15)16/h1-3,6H,4-5,7H2,(H,11,14) |
| InChI Key | OUPIGHVJMVXBJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11099556 |
| Molecular Formula | C10H11N3O5S |
| Molecular Weight | 285.2764 |
| SMILES | [O-][N+](C1=CC(S(N2CC(=O)NCC2)(=O)=O)=CC=C1)=O |
| Synonyms | 4-(3-nitrobenzenesulfonyl)piperazin-2-one,
4-[(3-nitrophenyl)sulfonyl]piperazin-2-one,
1087784-42-6,
AC1Q1X90,
CTK7H6539,
ZINC32627305,
AKOS008009321,
MCULE-4108205100,
NE26923,
EN300-37491,
|
| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.274g/mol |
| Monoisotopic Mass | 285.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number