2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C109H115F10N13O16S4Si2 — CID 158640087

About 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 158640087) has the molecular formula C109H115F10N13O16S4Si2 and a molecular weight of 2237.61 g/mol. Its IUPAC name is 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• PubChem CID: 158640087
• Molecular Formula: C109H115F10N13O16S4Si2
• Molecular Weight: 2237.61 g/mol
• Exact Mass: 2235.68
• IUPAC Name: 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• SMILES: C.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(O)c3c[nH]c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1.Nc1ccc(F)cc1F
• InChI: InChI=1S/C30H37F2N3O4SSi.C21H17F2N3O4S.C21H15F2N3O4S.C17H26N2OSi.C13H11F2NO3S.C6H5F2N.CH4/c1-18(2)41(19(3)4,20(5)6)35-17-24(23-12-9-15-33-30(23)35)29(36)27-25(31)13-14-26(28(27)32)34-40(37,38)22-11-8-10-21(16-22)39-7;2*1-30-12-4-2-5-13(10-12)31(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15;7-4-1-2-6(9)5(8)3-4;/h8-20,29,34,36H,1-7H3;2-11,20,26-27H,1H3,(H,24,25);2-11,26H,1H3,(H,24,25);7-14H,1-6H3;2-8,16H,1H3;1-3H,9H2;1H4
• InChIKey: IAGNUQWANNEXEI-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 415.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.61
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The IUPAC name of 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 158640087) is 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

What is the SMILES notation for 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The canonical SMILES for 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is C.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(O)c3c[nH]c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1.Nc1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The InChIKey is IAGNUQWANNEXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N3O4SSi.C21H17F2N3O4S.C21H15F2N3O4S.C17H26N2OSi.C13H11F2NO3S.C6H5F2N.CH4/c1-18(2)41(19(3)4,20(5)6)35-17-24(23-12-9-15-33-30(23)35)29(36)27-25(31)13-14-26(28(27)32)34-40(37,38)22-11-8-10-21(16-22)39-7;2*1-30-12-4-2-5-13(10-12)31(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15;7-4-1-2-6(9)5(8)3-4;/h8-20,29,34,36H,1-7H3;2-11,20,26-27H,1H3,(H,24,25);2-11,26H,1H3,(H,24,25);7-14H,1-6H3;2-8,16H,1H3;1-3H,9H2;1H4.

What are the key properties of 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 2237.61 g/mol, XLogP of 24.67, 31 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoroaniline;N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methoxybenzenesulfonamide;N-(2,4-difluorophenyl)-3-methoxybenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methoxybenzenesulfonamide;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 158640087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).