| CAS Number | 1193387-41-5 |
| Catalog Number | AG019WEK(AGN-PC-07HCCI) |
| Chemical Name | 1-{1H-pyrrolo[2,3-b]pyridine-3-sulfonyl}piperazine |
| IUPAC Name | 3-piperazin-1-ylsulfonyl-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C11H14N4O2S/c16-18(17,15-6-4-12-5-7-15)10-8-14-11-9(10)2-1-3-13-11/h1-3,8,12H,4-7H2,(H,13,14) |
| InChI Key | VTMBSTPGBSMDNH-UHFFFAOYSA-N |
| MDL Number | MFCD12913000 |
| Molecular Formula | C11H14N4O2S |
| Molecular Weight | 266.3195 |
| SMILES | O=S(C1C2=C(N=CC=C2)NC=1)(N1CCNCC1)=O |
| Synonyms | 1-{1H-pyrrolo[2,3-b]pyridine-3-sulfonyl}piperazine,
1193387-41-5,
AC1Q6VKH,
CTK7I1941,
ZINC36379780,
AKOS010211846,
MCULE-9009639516,
NE31413,
EN300-51693,
J-004104,
3-(1-Piperazinylsulfonyl)-1H-pyrrolo[2,3-b]pyridine,
Z752989056,
1-(1h-pyrrolo[2,3-b]pyridine-3-sulfonyl)piperazine,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.319g/mol |
| Monoisotopic Mass | 266.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number