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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole

C82H87Cl3F7N13O8S4 — CID 160849277

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole (PubChem CID 160849277) has the molecular formula C82H87Cl3F7N13O8S4 and a molecular weight of 1750.29 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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole.

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
• PubChem CID: 160849277
• Molecular Formula: C82H87Cl3F7N13O8S4
• Molecular Weight: 1750.29 g/mol
• Exact Mass: 1747.46
• 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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
• SMILES: 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.Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21
• InChI: InChI=1S/C21H21ClF3N3O2S.C21H23F3N4O2S.C20H21ClFN3O2S.C20H22ClN3O2S/c1-13-20(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(14(2)27(4)25-13)31(29,30)28-12-18(15-7-9-26(3)10-8-15)17-11-16(21(22,23)24)5-6-19(17)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/h4-6,10-12H,7-9H2,1-3H3;5-7,11-12H,8-10H2,1-4H3;4-6,10-12H,7-9H2,1-3H3;4-8,12-13H,9-11H2,1-3H3
• InChIKey: SJAVBEZDNZGFSI-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 201.85 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.29
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole (CID 160849277) 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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole.

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole is 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.Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

The InChIKey is SJAVBEZDNZGFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O2S.C21H23F3N4O2S.C20H21ClFN3O2S.C20H22ClN3O2S/c1-13-20(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(14(2)27(4)25-13)31(29,30)28-12-18(15-7-9-26(3)10-8-15)17-11-16(21(22,23)24)5-6-19(17)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/h4-6,10-12H,7-9H2,1-3H3;5-7,11-12H,8-10H2,1-4H3;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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole has a molecular weight of 1750.29 g/mol, XLogP of 16.82, 12 rotatable bonds, 0 hydrogen bond donors, and 21 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;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole is sourced from PubChem (CID 160849277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).