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

C58H64Cl2F6N8O9S2Si — CID 160559099

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

4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane (PubChem CID 160559099) has the molecular formula C58H64Cl2F6N8O9S2Si and a molecular weight of 1294.31 g/mol. Its IUPAC name is 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane.

Molecular Properties

• Compound Name: 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
• PubChem CID: 160559099
• Molecular Formula: C58H64Cl2F6N8O9S2Si
• Molecular Weight: 1294.31 g/mol
• Exact Mass: 1292.33
• IUPAC Name: 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
• SMILES: C.COCc1cnc(C(=O)c2c(C)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.COCc1cnc(C(=O)c2c(C)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(N(COC)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C34H42ClF3N4O5SSi.C23H18ClF3N4O4S.CH4/c1-20(2)49(21(3)4,22(5)6)42-13-12-26-30(23(7)16-40-33(26)42)32(43)31-29(14-24(17-39-31)18-46-8)41(19-47-9)48(44,45)25-10-11-28(35)27(15-25)34(36,37)38;1-12-9-30-22-15(5-6-28-22)19(12)21(32)20-18(7-13(10-29-20)11-35-2)31-36(33,34)14-3-4-17(24)16(8-14)23(25,26)27;/h10-17,20-22H,18-19H2,1-9H3;3-10,31H,11H2,1-2H3,(H,28,30);1H4
• InChIKey: QZBNLLWHLAYEEG-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 217.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.31
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	2
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 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane?

The IUPAC name of 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane (CID 160559099) is 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane.

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

The canonical SMILES for 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane is C.COCc1cnc(C(=O)c2c(C)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.COCc1cnc(C(=O)c2c(C)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(N(COC)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.

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

The InChIKey is QZBNLLWHLAYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClF3N4O5SSi.C23H18ClF3N4O4S.CH4/c1-20(2)49(21(3)4,22(5)6)42-13-12-26-30(23(7)16-40-33(26)42)32(43)31-29(14-24(17-39-31)18-46-8)41(19-47-9)48(44,45)25-10-11-28(35)27(15-25)34(36,37)38;1-12-9-30-22-15(5-6-28-22)19(12)21(32)20-18(7-13(10-29-20)11-35-2)31-36(33,34)14-3-4-17(24)16(8-14)23(25,26)27;/h10-17,20-22H,18-19H2,1-9H3;3-10,31H,11H2,1-2H3,(H,28,30);1H4.

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

4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane has a molecular weight of 1294.31 g/mol, XLogP of 14.36, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane is sourced from PubChem (CID 160559099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).