2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane

C98H65ClF25N11O13S5Si — CID 160933889

About 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane

2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane (PubChem CID 160933889) has the molecular formula C98H65ClF25N11O13S5Si and a molecular weight of 2303.49 g/mol. Its IUPAC name is 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane.

Molecular Properties

• Compound Name: 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane
• PubChem CID: 160933889
• Molecular Formula: C98H65ClF25N11O13S5Si
• Molecular Weight: 2303.49 g/mol
• Exact Mass: 2301.24
• IUPAC Name: 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane
• SMILES: C#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.C#Cc1ccnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.C[Si](C)(C)C#Cc1ccnc2[nH]ccc12.Nc1ccc(F)cc1F.O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C23H14F5N3O3S.C23H12F5N3O3S.C14H8F5NO3S.C13H8F5NO2S.C12H14N2Si.C7H4ClF3O2S.C6H5F2N/c2*1-2-12-9-10-29-22-18(12)15(11-30-22)21(32)19-16(24)7-8-17(20(19)25)31-35(33,34)14-5-3-13(4-6-14)23(26,27)28;15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19;14-9-3-6-12(11(15)7-9)19-22(20,21)10-4-1-8(2-5-10)13(16,17)18;1-15(2,3)9-6-10-4-7-13-12-11(10)5-8-14-12;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-6(9)5(8)3-4/h1,3-11,21,31-32H,(H,29,30);1,3-11,31H,(H,29,30);1-7,20H;1-7,19H;4-5,7-8H,1-3H3,(H,13,14);1-4H;1-3H,9H2
• InChIKey: STPVRULRDOKCDF-UHFFFAOYSA-N
• XLogP: 23.95
• TPSA: 385.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.49
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane?

The IUPAC name of 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane (CID 160933889) is 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane.

What is the SMILES notation for 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane?

The canonical SMILES for 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane is C#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.C#Cc1ccnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.C[Si](C)(C)C#Cc1ccnc2[nH]ccc12.Nc1ccc(F)cc1F.O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane?

The InChIKey is STPVRULRDOKCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N3O3S.C23H12F5N3O3S.C14H8F5NO3S.C13H8F5NO2S.C12H14N2Si.C7H4ClF3O2S.C6H5F2N/c2*1-2-12-9-10-29-22-18(12)15(11-30-22)21(32)19-16(24)7-8-17(20(19)25)31-35(33,34)14-5-3-13(4-6-14)23(26,27)28;15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19;14-9-3-6-12(11(15)7-9)19-22(20,21)10-4-1-8(2-5-10)13(16,17)18;1-15(2,3)9-6-10-4-7-13-12-11(10)5-8-14-12;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-6(9)5(8)3-4/h1,3-11,21,31-32H,(H,29,30);1,3-11,31H,(H,29,30);1-7,20H;1-7,19H;4-5,7-8H,1-3H3,(H,13,14);1-4H;1-3H,9H2.

What are the key properties of 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane?

2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane has a molecular weight of 2303.49 g/mol, XLogP of 23.95, 18 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane is sourced from PubChem (CID 160933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).