93699-74-6 Purity
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Specification
The PubChem CID of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 49758909.
The molecular formula of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is C13H9N3O4S.
The IUPAC name of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 1-(benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridine.
The InChI of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is InChI=1S/C13H9N3O4S/c17-16(18)11-8-10-6-7-15(13(10)14-9-11)21(19,20)12-4-2-1-3-5-12/h1-9H.
The InChIKey of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is WLSHPXXCDBYQNM-UHFFFAOYSA-N.
The canonical SMILES of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC(=CN=C32)[N+](=O)[O-].
The molecular weight of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 303.30 g/mol.
The XLogP3-AA value of 5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine is 2.3.
5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine has 0 hydrogen bond donor count.
5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine has 5 hydrogen bond acceptor counts.