N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C58H64Cl4F6N8O8S2Si2 — CID 162127199

About N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 162127199) has the molecular formula C58H64Cl4F6N8O8S2Si2 and a molecular weight of 1377.30 g/mol. Its IUPAC name is N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 162127199
• Molecular Formula: C58H64Cl4F6N8O8S2Si2
• Molecular Weight: 1377.30 g/mol
• Exact Mass: 1374.25
• IUPAC Name: N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(Cl)c(C)nc1C(=O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C29H33Cl2F3N4O4SSi.C29H31Cl2F3N4O4SSi/c2*1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4/h8-15,26,39H,16H2,1-7H3;8-15H,16H2,1-7H3
• InChIKey: ZIEQGZIWEAJUKP-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 191.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.30
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 162127199) is N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(Cl)c(C)nc1C(=O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)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]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is ZIEQGZIWEAJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2F3N4O4SSi.C29H31Cl2F3N4O4SSi/c2*1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4/h8-15,26,39H,16H2,1-7H3;8-15H,16H2,1-7H3.

What are the key properties of N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1377.30 g/mol, XLogP of 15.75, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-4-carbonyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162127199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).