| CAS Number | 893726-85-7 |
| Catalog Number | AG01A0QO |
| Chemical Name | 2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]acetohydrazide |
| IUPAC Name | 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetohydrazide |
| InChI | InChI=1S/C13H20N4O3S/c1-11-2-4-12(5-3-11)21(19,20)17-8-6-16(7-9-17)10-13(18)15-14/h2-5H,6-10,14H2,1H3,(H,15,18) |
| InChI Key | SFWJLGDQJCJPQQ-UHFFFAOYSA-N |
| MDL Number | MFCD07364317 |
| Molecular Formula | C13H20N4O3S |
| Molecular Weight | 312.3879 |
| SMILES | CC1=CC=C(S(N2CCN(CC(NN)=O)CC2)(=O)=O)C=C1 |
| Synonyms | 2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]acetohydrazide,
893726-85-7,
SBB040757,
ZINC36724738,
AKOS000269014,
MCULE-7782477856,
NE13608,
EN300-110773,
4-(???methyl)-1-[(4-methylphenyl)sulfonyl]piperazine,
[4-(Toluene-4-sulfonyl)piperazin-1-yl]acetic acid hydrazide,
|
| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.388g/mol |
| Monoisotopic Mass | 312.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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