| CAS Number | 500859-71-2 |
| Catalog Number | AG01EII4 |
| Chemical Name | 4-(Benzenesulfonyl)piperazine-1-carbaldehyde |
| IUPAC Name | 4-(benzenesulfonyl)piperazine-1-carbaldehyde |
| InChI | InChI=1S/C11H14N2O3S/c14-10-12-6-8-13(9-7-12)17(15,16)11-4-2-1-3-5-11/h1-5,10H,6-9H2 |
| InChI Key | LDXHRXXJOILMFH-UHFFFAOYSA-N |
| MDL Number | MFCD04331848 |
| Molecular Formula | C11H14N2O3S |
| Molecular Weight | 254.3055 |
| NSC Number | 511091 |
| SMILES | O=CN1CCN(S(C2=CC=CC=C2)(=O)=O)CC1 |
| Synonyms | 4-(phenylsulfonyl)piperazine-1-carbaldehyde,
4-(benzenesulfonyl)piperazine-1-carbaldehyde,
NSC511091,
AC1L6WBL,
AC1Q6UPZ,
SCHEMBL13632352,
ZINC1603461,
ZX-AH006084,
STL419458,
AKOS000398650,
NSC-511091,
ABA-6319902,
500859-71-2,
CID350462,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.304g/mol |
| Monoisotopic Mass | 254.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number