2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)

C110H120F10N12O17S4Si2 — CID 158997756

About 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)

2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane) (PubChem CID 158997756) has the molecular formula C110H120F10N12O17S4Si2 and a molecular weight of 2256.66 g/mol. Its IUPAC name is 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane).

Molecular Properties

• Compound Name: 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)
• PubChem CID: 158997756
• Molecular Formula: C110H120F10N12O17S4Si2
• Molecular Weight: 2256.66 g/mol
• Exact Mass: 2254.72
• IUPAC Name: 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)
• SMILES: C.CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.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)c3c[nH]c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1.Nc1ccc(F)cc1F.O=C(O)c1c[nH]c2ccccc12
• InChI: InChI=1S/2C21H17F2N3O4S.C21H15F2N3O4S.C13H11F2NO3S.C9H7NO2.2C9H22Si.C6H5F2N.CH4/c3*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;1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15;11-9(12)7-5-10-8-4-2-1-3-6(7)8;2*1-7(2)10(8(3)4)9(5)6;7-4-1-2-6(9)5(8)3-4;/h2*2-11,20,26-27H,1H3,(H,24,25);2-11,26H,1H3,(H,24,25);2-8,16H,1H3;1-5,10H,(H,11,12);2*7-10H,1-6H3;1-3H,9H2;1H4
• InChIKey: JQYLQTWQZVVIRI-UHFFFAOYSA-N
• XLogP: 25.06
• TPSA: 444.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.66
LogP ≤ 5	25.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'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;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)?

The IUPAC name of 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane) (CID 158997756) is 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane).

What is the SMILES notation for 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)?

The canonical SMILES for 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane) is C.CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.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)c3c[nH]c4ncccc34)c2F)c1.COc1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1.Nc1ccc(F)cc1F.O=C(O)c1c[nH]c2ccccc12.

What is the InChIKey of 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)?

The InChIKey is JQYLQTWQZVVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17F2N3O4S.C21H15F2N3O4S.C13H11F2NO3S.C9H7NO2.2C9H22Si.C6H5F2N.CH4/c3*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;1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15;11-9(12)7-5-10-8-4-2-1-3-6(7)8;2*1-7(2)10(8(3)4)9(5)6;7-4-1-2-6(9)5(8)3-4;/h2*2-11,20,26-27H,1H3,(H,24,25);2-11,26H,1H3,(H,24,25);2-8,16H,1H3;1-5,10H,(H,11,12);2*7-10H,1-6H3;1-3H,9H2;1H4.

What are the key properties of 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane)?

2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane) has a molecular weight of 2256.66 g/mol, XLogP of 25.06, 29 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoroaniline;bis(N-[2,4-difluoro-3-[hydroxy(1H-pyrrolo[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;1H-indole-3-carboxylic acid;methane;bis(tri(propan-2-yl)silane) is sourced from PubChem (CID 158997756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).