About tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate
tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate (PubChem CID 161368068) has the molecular formula C47H36Cl4F6N4O8S
and a molecular weight of 1072.69 g/mol. Its IUPAC name is tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate.
Analyze tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate?
The IUPAC name of tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate (CID 161368068) is tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate.
What is the SMILES notation for tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate?
The canonical SMILES for tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate is CC(C)(C)OC(=O)c1ccc(Cl)c(C(=O)c2cc3ccc(C(F)(F)F)nc3n2S(=O)(=O)c2ccccc2)c1Cl.Cc1cc(C(F)(F)F)nc2[nH]c(C(=O)c3c(Cl)ccc(C(=O)OC(C)(C)C)c3Cl)cc12.
What is the InChIKey of tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate?
The InChIKey is VQBUTIXODGZJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2F3N2O5S.C21H17Cl2F3N2O3/c1-25(2,3)38-24(35)16-10-11-17(27)20(21(16)28)22(34)18-13-14-9-12-19(26(29,30)31)32-23(14)33(18)39(36,37)15-7-5-4-6-8-15;1-9-7-14(21(24,25)26)28-18-11(9)8-13(27-18)17(29)15-12(22)6-5-10(16(15)23)19(30)31-20(2,3)4/h4-13H,1-3H3;5-8H,1-4H3,(H,27,28).
What are the key properties of tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate?
tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate has a molecular weight of 1072.69 g/mol, XLogP of 13.17, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-2,4-dichlorobenzoate;tert-butyl 2,4-dichloro-3-[4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]benzoate is sourced from PubChem (CID 161368068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).