N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C58H63Cl4F6IN6O8S2Si2 — CID 160542719

About N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 160542719) has the molecular formula C58H63Cl4F6IN6O8S2Si2 and a molecular weight of 1475.19 g/mol. Its IUPAC name is N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 160542719
• Molecular Formula: C58H63Cl4F6IN6O8S2Si2
• Molecular Weight: 1475.19 g/mol
• Exact Mass: 1472.14
• IUPAC Name: N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• SMILES: CC(C)(C)[Si](C)(C)n1ccc2c(I)ccnc21.COCN(c1cc(Cl)ccc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)ccc1C=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C29H32Cl2F3N3O4SSi.C16H12Cl2F3NO4S.C13H19IN2Si/c1-28(2,3)43(5,6)37-14-12-21-20(11-13-35-27(21)37)26(38)22-9-7-18(30)15-25(22)36(17-41-4)42(39,40)19-8-10-24(31)23(16-19)29(32,33)34;1-26-9-22(15-6-11(17)3-2-10(15)8-23)27(24,25)12-4-5-14(18)13(7-12)16(19,20)21;1-13(2,3)17(4,5)16-9-7-10-11(14)6-8-15-12(10)16/h7-16,26,38H,17H2,1-6H3;2-8H,9H2,1H3;6-9H,1-5H3
• InChIKey: QWZSONWJVDINHU-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 166.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.19
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 160542719) is N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is CC(C)(C)[Si](C)(C)n1ccc2c(I)ccnc21.COCN(c1cc(Cl)ccc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)ccc1C=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is QWZSONWJVDINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2F3N3O4SSi.C16H12Cl2F3NO4S.C13H19IN2Si/c1-28(2,3)43(5,6)37-14-12-21-20(11-13-35-27(21)37)26(38)22-9-7-18(30)15-25(22)36(17-41-4)42(39,40)19-8-10-24(31)23(16-19)29(32,33)34;1-26-9-22(15-6-11(17)3-2-10(15)8-23)27(24,25)12-4-5-14(18)13(7-12)16(19,20)21;1-13(2,3)17(4,5)16-9-7-10-11(14)6-8-15-12(10)16/h7-16,26,38H,17H2,1-6H3;2-8H,9H2,1H3;6-9H,1-5H3.

What are the key properties of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1475.19 g/mol, XLogP of 17.21, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chlorophenyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;tert-butyl-(4-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-N-(5-chloro-2-formylphenyl)-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 160542719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).