1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C85H89Cl3F4N12O9S4 — CID 157080901

About 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 157080901) has the molecular formula C85H89Cl3F4N12O9S4 and a molecular weight of 1733.34 g/mol. Its IUPAC name is 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 157080901
• Molecular Formula: C85H89Cl3F4N12O9S4
• Molecular Weight: 1733.34 g/mol
• Exact Mass: 1730.48
• IUPAC Name: 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ccccc43)ccc21.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c(Cl)cn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c(Cl)cn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c(Cl)cn1C
• InChI: InChI=1S/C24H25N3O3S.C21H21ClF3N3O2S.C20H21ClFN3O2S.C20H22ClN3O2S/c1-17(28)26-14-11-19-15-20(7-8-23(19)26)31(29,30)27-16-22(18-9-12-25(2)13-10-18)21-5-3-4-6-24(21)27;1-13-20(18(22)12-27(13)3)31(29,30)28-11-17(14-6-8-26(2)9-7-14)16-10-15(21(23,24)25)4-5-19(16)28;1-13-20(18(21)12-24(13)3)28(26,27)25-11-17(14-6-8-23(2)9-7-14)16-10-15(22)4-5-19(16)25;1-14-20(18(21)13-23(14)3)27(25,26)24-12-17(15-8-10-22(2)11-9-15)16-6-4-5-7-19(16)24/h3-9,15-16H,10-14H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3;4-8,12-13H,9-11H2,1-3H3
• InChIKey: ADNIJIOBBCNUNQ-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 204.34 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1733.34
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 157080901) is 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ccccc43)ccc21.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c(Cl)cn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c(Cl)cn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c(Cl)cn1C.

What is the InChIKey of 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is ADNIJIOBBCNUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S.C21H21ClF3N3O2S.C20H21ClFN3O2S.C20H22ClN3O2S/c1-17(28)26-14-11-19-15-20(7-8-23(19)26)31(29,30)27-16-22(18-9-12-25(2)13-10-18)21-5-3-4-6-24(21)27;1-13-20(18(22)12-27(13)3)31(29,30)28-11-17(14-6-8-26(2)9-7-14)16-10-15(21(23,24)25)4-5-19(16)28;1-13-20(18(21)12-24(13)3)28(26,27)25-11-17(14-6-8-23(2)9-7-14)16-10-15(22)4-5-19(16)25;1-14-20(18(21)13-23(14)3)27(25,26)24-12-17(15-8-10-22(2)11-9-15)16-6-4-5-7-19(16)24/h3-9,15-16H,10-14H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3;4-8,12-13H,9-11H2,1-3H3.

What are the key properties of 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 1733.34 g/mol, XLogP of 16.36, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(4-chloro-1,2-dimethylpyrrol-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 157080901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).