| CAS Number | 953758-11-7 |
| Catalog Number | AG019MYK |
| Chemical Name | 4-[(3-Aminophenyl)sulfonyl]piperazin-2-one |
| IUPAC Name | 4-(3-aminophenyl)sulfonylpiperazin-2-one |
| InChI | InChI=1S/C10H13N3O3S/c11-8-2-1-3-9(6-8)17(15,16)13-5-4-12-10(14)7-13/h1-3,6H,4-5,7,11H2,(H,12,14) |
| InChI Key | XZZAWPCMAWZHAH-UHFFFAOYSA-N |
| MDL Number | MFCD09733076 |
| Molecular Formula | C10H13N3O3S |
| Molecular Weight | 255.2935 |
| SMILES | NC1=CC(S(N2CC(=O)NCC2)(=O)=O)=CC=C1 |
| Synonyms | 4-(3-aminobenzenesulfonyl)piperazin-2-one,
953758-11-7,
4-[(3-aminophenyl)sulfonyl]piperazin-2-one,
AC1Q51GT,
CTK7H6541,
ZINC22176710,
AKOS000139624,
MCULE-9923442134,
NE14332,
4-[(3-aminobenzene)sulfonyl]piperazin-2-one,
EN300-38947,
Z394693482,
2-Piperazinone, 4-[(3-aminophenyl)sulfonyl],
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.292g/mol |
| Monoisotopic Mass | 255.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number