1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide

C72H82Cl2F5N13O9S4 — CID 159274668

About 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide

1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide (PubChem CID 159274668) has the molecular formula C72H82Cl2F5N13O9S4 and a molecular weight of 1567.69 g/mol. Its IUPAC name is 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide
• PubChem CID: 159274668
• Molecular Formula: C72H82Cl2F5N13O9S4
• Molecular Weight: 1567.69 g/mol
• Exact Mass: 1565.45
• IUPAC Name: 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide
• SMILES: CC(=O)N1CC=C(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CN(C)S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.CN(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)c(Cl)cc23)CC1.NS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
• InChI: InChI=1S/C15H14ClFN2O.C15H20FN3O2S.C15H18FN3O2S.C14H14ClFN2O2S.C13H16FN3O2S/c1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;2*1-18(2)22(20,21)19-7-5-11(6-8-19)14-10-17-15-9-12(16)3-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14;14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-17(6-4-9)20(15,18)19/h2,6-8,18H,3-5H2,1H3;3-4,9-11,17H,5-8H2,1-2H3;3-5,9-10,17H,6-8H2,1-2H3;2,6-8,17H,3-5H2,1H3;1-2,7-9,16H,3-6H2,(H2,15,18,19)
• InChIKey: KYDOERPRYIOEIY-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 281.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.69
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide?

The IUPAC name of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide (CID 159274668) is 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide.

What is the SMILES notation for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide?

The canonical SMILES for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide is CC(=O)N1CC=C(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CN(C)S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.CN(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)c(Cl)cc23)CC1.NS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.

What is the InChIKey of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide?

The InChIKey is KYDOERPRYIOEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O.C15H20FN3O2S.C15H18FN3O2S.C14H14ClFN2O2S.C13H16FN3O2S/c1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;2*1-18(2)22(20,21)19-7-5-11(6-8-19)14-10-17-15-9-12(16)3-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14;14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-17(6-4-9)20(15,18)19/h2,6-8,18H,3-5H2,1H3;3-4,9-11,17H,5-8H2,1-2H3;3-5,9-10,17H,6-8H2,1-2H3;2,6-8,17H,3-5H2,1H3;1-2,7-9,16H,3-6H2,(H2,15,18,19).

What are the key properties of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide?

1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide has a molecular weight of 1567.69 g/mol, XLogP of 12.79, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 159274668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).