magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride

C111H125BrCl6F12MgN16O16S4Si3 — CID 161435642

About magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride

magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride (PubChem CID 161435642) has the molecular formula C111H125BrCl6F12MgN16O16S4Si3 and a molecular weight of 2696.75 g/mol. Its IUPAC name is magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride.

Molecular Properties

• Compound Name: magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride
• PubChem CID: 161435642
• Molecular Formula: C111H125BrCl6F12MgN16O16S4Si3
• Molecular Weight: 2696.75 g/mol
• Exact Mass: 2690.46
• IUPAC Name: magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride
• SMILES: C1CCOC1.CC(C)(C)[Si](C)(C)n1ccc2c(C=O)ccnc21.COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1cccc(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.C[CH-]C.Cl.O=S(=O)(Nc1cc(Cl)cnc1C(O)c1ccnc2[nH]ccc12)c1cccc(C(F)(F)F)c1.[Cl-].[Mg+2]
• InChI: InChI=1S/2C28H32ClF3N4O4SSi.C20H14ClF3N4O3S.C14H11BrClF3N2O3S.C14H20N2OSi.C4H8O.C3H7.2ClH.Mg/c2*1-27(2,3)42(5,6)36-13-11-22-21(10-12-33-26(22)36)25(37)24-23(15-19(29)16-34-24)35(17-40-4)41(38,39)20-9-7-8-18(14-20)28(30,31)32;21-12-9-16(28-32(30,31)13-3-1-2-11(8-13)20(22,23)24)17(27-10-12)18(29)14-4-6-25-19-15(14)5-7-26-19;1-24-8-21(12-6-10(16)7-20-13(12)15)25(22,23)11-4-2-3-9(5-11)14(17,18)19;1-14(2,3)18(4,5)16-9-7-12-11(10-17)6-8-15-13(12)16;1-2-4-5-3-1;1-3-2;;;/h2*7-16,25,37H,17H2,1-6H3;1-10,18,28-29H,(H,25,26);2-7H,8H2,1H3;6-10H,1-5H3;1-4H2;3H,1-2H3;2*1H;/q;;;;;;-1;;;+2/p-1
• InChIKey: PNJGUBLMUYPRGT-UHFFFAOYSA-M
• XLogP: 25.28
• TPSA: 406.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2696.75
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride?

The IUPAC name of magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride (CID 161435642) is magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride.

What is the SMILES notation for magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride?

The canonical SMILES for magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride is C1CCOC1.CC(C)(C)[Si](C)(C)n1ccc2c(C=O)ccnc21.COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1cccc(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.C[CH-]C.Cl.O=S(=O)(Nc1cc(Cl)cnc1C(O)c1ccnc2[nH]ccc12)c1cccc(C(F)(F)F)c1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride?

The InChIKey is PNJGUBLMUYPRGT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C28H32ClF3N4O4SSi.C20H14ClF3N4O3S.C14H11BrClF3N2O3S.C14H20N2OSi.C4H8O.C3H7.2ClH.Mg/c2*1-27(2,3)42(5,6)36-13-11-22-21(10-12-33-26(22)36)25(37)24-23(15-19(29)16-34-24)35(17-40-4)41(38,39)20-9-7-8-18(14-20)28(30,31)32;21-12-9-16(28-32(30,31)13-3-1-2-11(8-13)20(22,23)24)17(27-10-12)18(29)14-4-6-25-19-15(14)5-7-26-19;1-24-8-21(12-6-10(16)7-20-13(12)15)25(22,23)11-4-2-3-9(5-11)14(17,18)19;1-14(2,3)18(4,5)16-9-7-12-11(10-17)6-8-15-13(12)16;1-2-4-5-3-1;1-3-2;;;/h2*7-16,25,37H,17H2,1-6H3;1-10,18,28-29H,(H,25,26);2-7H,8H2,1H3;6-10H,1-5H3;1-4H2;3H,1-2H3;2*1H;/q;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride?

magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride has a molecular weight of 2696.75 g/mol, XLogP of 25.28, 28 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;bis(N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[hydroxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride is sourced from PubChem (CID 161435642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).