Cas no 1186502-31-7 (Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-)
![Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]- structure](https://ossimg.kuujia.com/scimg/1187000/1186502-31-7x500.png)
1186502-31-7 structure
Product Name:Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
CAS No:1186502-31-7
MF:C15H12N2O3S
MW:300.332382202148
CID:833629
Update Time:2023-08-03
Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
- 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
- Ethanone,1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
- VFWNUFYHQIUTFS-UHFFFAOYSA-N
- 1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanone
-
- Inchi： 1S/C15H12N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-10H,1H3
- InChI Key： VFWNUFYHQIUTFS-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C(C(C)=O)=CC2=CC=CN=C12)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 494
- Topological Polar Surface Area: 77.4
Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
1186502-31-7 (Ethanone, 1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-) Related Products
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