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

C66H83BrCl2F6N8O8S2Si2 — CID 123370985

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

N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (PubChem CID 123370985) has the molecular formula C66H83BrCl2F6N8O8S2Si2 and a molecular weight of 1501.54 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-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)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• PubChem CID: 123370985
• Molecular Formula: C66H83BrCl2F6N8O8S2Si2
• Molecular Weight: 1501.54 g/mol
• Exact Mass: 1498.38
• IUPAC Name: N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• SMILES: COCN(c1cc(C)cnc1Br)S(=O)(=O)c1ccc(Cl)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(Cl)c(C(F)(F)F)c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O
• InChI: InChI=1S/C33H42ClF3N4O4SSi.C18H28N2OSi.C15H13BrClF3N2O3S/c1-19(2)47(20(3)4,21(5)6)41-13-12-25-29(23(8)17-39-32(25)41)31(42)30-28(14-22(7)16-38-30)40(18-45-9)46(43,44)24-10-11-27(34)26(15-24)33(35,36)37;1-12(2)22(13(3)4,14(5)6)20-9-8-16-17(11-21)15(7)10-19-18(16)20;1-9-5-13(14(16)21-7-9)22(8-25-2)26(23,24)10-3-4-12(17)11(6-10)15(18,19)20/h10-17,19-21,31,42H,18H2,1-9H3;8-14H,1-7H3;3-7H,8H2,1-2H3
• InChIKey: KFFBYZAMANOAHL-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 191.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.54
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-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)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (CID 123370985) is N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-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)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-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)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is COCN(c1cc(C)cnc1Br)S(=O)(=O)c1ccc(Cl)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(Cl)c(C(F)(F)F)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)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The InChIKey is KFFBYZAMANOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42ClF3N4O4SSi.C18H28N2OSi.C15H13BrClF3N2O3S/c1-19(2)47(20(3)4,21(5)6)41-13-12-25-29(23(8)17-39-32(25)41)31(42)30-28(14-22(7)16-38-30)40(18-45-9)46(43,44)24-10-11-27(34)26(15-24)33(35,36)37;1-12(2)22(13(3)4,14(5)6)20-9-8-16-17(11-21)15(7)10-19-18(16)20;1-9-5-13(14(16)21-7-9)22(8-25-2)26(23,24)10-3-4-12(17)11(6-10)15(18,19)20/h10-17,19-21,31,42H,18H2,1-9H3;8-14H,1-7H3;3-7H,8H2,1-2H3.

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

N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde has a molecular weight of 1501.54 g/mol, XLogP of 18.43, 21 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-5-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 123370985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).