1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline

C90H86F3N13O8S4 — CID 159672882

About 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline

1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline (PubChem CID 159672882) has the molecular formula C90H86F3N13O8S4 and a molecular weight of 1663.02 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
• PubChem CID: 159672882
• Molecular Formula: C90H86F3N13O8S4
• Molecular Weight: 1663.02 g/mol
• Exact Mass: 1661.56
• IUPAC Name: 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N)cc3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3cc(-c4cccnc4)ccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(-c4cccnc4)cc23)CC1
• InChI: InChI=1S/2C25H23N3O2S.C21H20F3N3O2S.C19H20N4O2S/c1-27-14-11-19(12-15-27)24-18-28(31(29,30)22-7-3-2-4-8-22)25-10-9-20(16-23(24)25)21-6-5-13-26-17-21;1-27-14-11-19(12-15-27)24-18-28(31(29,30)22-7-3-2-4-8-22)25-16-20(9-10-23(24)25)21-6-5-13-26-17-21;1-26-10-8-14(9-11-26)19-13-27(30(28,29)17-5-3-16(25)4-6-17)20-7-2-15(12-18(19)20)21(22,23)24;1-22-11-8-14(9-12-22)18-13-23(19-17(18)3-2-10-21-19)26(24,25)16-6-4-15(20)5-7-16/h2*2-11,13,16-18H,12,14-15H2,1H3;2-8,12-13H,9-11,25H2,1H3;2-8,10,13H,9,11-12,20H2,1H3
• InChIKey: MUFIYRUVOBQFDR-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 259.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.02
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?

The IUPAC name of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline (CID 159672882) is 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline.

What is the SMILES notation for 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?

The canonical SMILES for 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N)cc3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3cc(-c4cccnc4)ccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(-c4cccnc4)cc23)CC1.

What is the InChIKey of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?

The InChIKey is MUFIYRUVOBQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23N3O2S.C21H20F3N3O2S.C19H20N4O2S/c1-27-14-11-19(12-15-27)24-18-28(31(29,30)22-7-3-2-4-8-22)25-10-9-20(16-23(24)25)21-6-5-13-26-17-21;1-27-14-11-19(12-15-27)24-18-28(31(29,30)22-7-3-2-4-8-22)25-16-20(9-10-23(24)25)21-6-5-13-26-17-21;1-26-10-8-14(9-11-26)19-13-27(30(28,29)17-5-3-16(25)4-6-17)20-7-2-15(12-18(19)20)21(22,23)24;1-22-11-8-14(9-12-22)18-13-23(19-17(18)3-2-10-21-19)26(24,25)16-6-4-15(20)5-7-16/h2*2-11,13,16-18H,12,14-15H2,1H3;2-8,12-13H,9-11,25H2,1H3;2-8,10,13H,9,11-12,20H2,1H3.

What are the key properties of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?

1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline has a molecular weight of 1663.02 g/mol, XLogP of 16.09, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline is sourced from PubChem (CID 159672882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).