N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde

C128H163BrF12N16O15S4Si3 — CID 158869708

About N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde

N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (PubChem CID 158869708) has the molecular formula C128H163BrF12N16O15S4Si3 and a molecular weight of 2686.21 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde.

Molecular Properties

• Compound Name: N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• PubChem CID: 158869708
• Molecular Formula: C128H163BrF12N16O15S4Si3
• Molecular Weight: 2686.21 g/mol
• Exact Mass: 2682.97
• IUPAC Name: N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• SMILES: C.C.C.COCN(c1cc(C)cnc1Br)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(=O)c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(O)c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2c(C)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O
• InChI: InChI=1S/C34H45F3N4O4SSi.C34H43F3N4O4SSi.C23H19F3N4O3S.C18H28N2OSi.C16H16BrF3N2O3S.3CH4/c2*1-20(2)47(21(3)4,22(5)6)41-14-13-27-30(25(9)18-39-33(27)41)32(42)31-29(15-23(7)17-38-31)40(19-45-10)46(43,44)26-12-11-24(8)28(16-26)34(35,36)37;1-12-8-18(30-34(32,33)15-5-4-13(2)17(9-15)23(24,25)26)20(28-10-12)21(31)19-14(3)11-29-22-16(19)6-7-27-22;1-12(2)22(13(3)4,14(5)6)20-9-8-16-17(11-21)15(7)10-19-18(16)20;1-10-6-14(15(17)21-8-10)22(9-25-3)26(23,24)12-5-4-11(2)13(7-12)16(18,19)20;;;/h11-18,20-22,32,42H,19H2,1-10H3;11-18,20-22H,19H2,1-10H3;4-11,30H,1-3H3,(H,27,29);8-14H,1-7H3;4-8H,9H2,1-3H3;3*1H4
• InChIKey: JBRPDJIJODWNQQ-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 391.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2686.21
LogP ≤ 5	33.01
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': '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 N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (CID 158869708) is N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde.

What is the SMILES notation for N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The canonical SMILES for N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is C.C.C.COCN(c1cc(C)cnc1Br)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(=O)c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(O)c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1cnc(C(=O)c2c(C)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O.

What is the InChIKey of N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The InChIKey is JBRPDJIJODWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F3N4O4SSi.C34H43F3N4O4SSi.C23H19F3N4O3S.C18H28N2OSi.C16H16BrF3N2O3S.3CH4/c2*1-20(2)47(21(3)4,22(5)6)41-14-13-27-30(25(9)18-39-33(27)41)32(42)31-29(15-23(7)17-38-31)40(19-45-10)46(43,44)26-12-11-24(8)28(16-26)34(35,36)37;1-12-8-18(30-34(32,33)15-5-4-13(2)17(9-15)23(24,25)26)20(28-10-12)21(31)19-14(3)11-29-22-16(19)6-7-27-22;1-12(2)22(13(3)4,14(5)6)20-9-8-16-17(11-21)15(7)10-19-18(16)20;1-10-6-14(15(17)21-8-10)22(9-25-3)26(23,24)12-5-4-11(2)13(7-12)16(18,19)20;;;/h11-18,20-22,32,42H,19H2,1-10H3;11-18,20-22H,19H2,1-10H3;4-11,30H,1-3H3,(H,27,29);8-14H,1-7H3;4-8H,9H2,1-3H3;3*1H4.

What are the key properties of N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde has a molecular weight of 2686.21 g/mol, XLogP of 33.01, 37 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-5-methyl-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;N-(methoxymethyl)-4-methyl-N-[5-methyl-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-methyl-N-[5-methyl-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 158869708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).