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

C116H130BrCl6F12MgN15O16S4Si3 — CID 159398030

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

magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride (PubChem CID 159398030) has the molecular formula C116H130BrCl6F12MgN15O16S4Si3 and a molecular weight of 2747.83 g/mol. Its IUPAC name is magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride.

Molecular Properties

• Compound Name: magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride
• PubChem CID: 159398030
• Molecular Formula: C116H130BrCl6F12MgN15O16S4Si3
• Molecular Weight: 2747.83 g/mol
• Exact Mass: 2741.50
• IUPAC Name: magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride
• SMILES: C1CCOC1.CC(C)(C)[Si](C)(C)n1ccc2c(C=O)ccnc21.COCN(c1cc(C)cnc1Br)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(=O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(O)c1cccc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.C[CH-]C.Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cl.[Cl-].[Mg+2]
• InChI: InChI=1S/C30H35ClF3N3O4SSi.C29H32ClF3N4O4SSi.C21H14ClF3N4O3S.C15H13BrClF3N2O3S.C14H20N2OSi.C4H8O.C3H7.2ClH.Mg/c1-19-15-26(36(18-41-5)42(39,40)20-11-12-24(31)23(16-20)30(32,33)34)27(35-17-19)28(38)22-9-8-10-25-21(22)13-14-37(25)43(6,7)29(2,3)4;1-18-14-24(36(17-41-5)42(39,40)19-8-9-23(30)22(15-19)29(31,32)33)25(35-16-18)26(38)20-10-12-34-27-21(20)11-13-37(27)43(6,7)28(2,3)4;1-11-8-17(29-33(31,32)12-2-3-16(22)15(9-12)21(23,24)25)18(28-10-11)19(30)13-4-6-26-20-14(13)5-7-27-20;1-9-5-13(14(16)21-7-9)22(8-25-2)26(23,24)10-3-4-12(17)11(6-10)15(18,19)20;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;;;/h8-17,28,38H,18H2,1-7H3;8-16H,17H2,1-7H3;2-10,29H,1H3,(H,26,27);3-7H,8H2,1-2H3;6-10H,1-5H3;1-4H2;3H,1-2H3;2*1H;/q;;;;;;-1;;;+2/p-1
• InChIKey: YCMSGDUDFUIOGF-UHFFFAOYSA-M
• XLogP: 27.42
• TPSA: 387.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.83
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

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

The IUPAC name of magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride (CID 159398030) is magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride.

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

The canonical SMILES for magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride is C1CCOC1.CC(C)(C)[Si](C)(C)n1ccc2c(C=O)ccnc21.COCN(c1cc(C)cnc1Br)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(=O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(O)c1cccc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.C[CH-]C.Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cl.[Cl-].[Mg+2].

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

The InChIKey is YCMSGDUDFUIOGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H35ClF3N3O4SSi.C29H32ClF3N4O4SSi.C21H14ClF3N4O3S.C15H13BrClF3N2O3S.C14H20N2OSi.C4H8O.C3H7.2ClH.Mg/c1-19-15-26(36(18-41-5)42(39,40)20-11-12-24(31)23(16-20)30(32,33)34)27(35-17-19)28(38)22-9-8-10-25-21(22)13-14-37(25)43(6,7)29(2,3)4;1-18-14-24(36(17-41-5)42(39,40)19-8-9-23(30)22(15-19)29(31,32)33)25(35-16-18)26(38)20-10-12-34-27-21(20)11-13-37(27)43(6,7)28(2,3)4;1-11-8-17(29-33(31,32)12-2-3-16(22)15(9-12)21(23,24)25)18(28-10-11)19(30)13-4-6-26-20-14(13)5-7-27-20;1-9-5-13(14(16)21-7-9)22(8-25-2)26(23,24)10-3-4-12(17)11(6-10)15(18,19)20;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;;;/h8-17,28,38H,18H2,1-7H3;8-16H,17H2,1-7H3;2-10,29H,1H3,(H,26,27);3-7H,8H2,1-2H3;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-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride?

magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride has a molecular weight of 2747.83 g/mol, XLogP of 27.42, 28 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]indol-4-yl]-hydroxymethyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbaldehyde;N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;oxolane;propane;chloride;hydrochloride is sourced from PubChem (CID 159398030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).