| CAS Number | 1679330-17-6 |
| Catalog Number | AG019EPL(AGN-PC-0WG4CL) |
| Chemical Name | 1-(1-(Phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone |
| IUPAC Name | 1-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-3-yl]ethanone |
| InChI | InChI=1S/C15H12N2O3S/c1-11(18)14-10-17(15-9-16-8-7-13(14)15)21(19,20)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChI Key | VUGLFEKECVWFDE-UHFFFAOYSA-N |
| MDL Number | MFCD30185797 |
| Molecular Formula | C15H12N2O3S |
| Molecular Weight | 300.3324 |
| SMILES | CC(=O)c1cn(c2c1ccnc2)S(=O)(=O)c1ccccc1 |
| Synonyms | 1-(1-(Phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone,
1679330-17-6,
MFCD30185797,
ZINC498045499,
CS-0036131,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.332g/mol |
| Monoisotopic Mass | 300.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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