1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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

C77H95Cl2F4N13O10S4 — CID 158290351

About 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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

1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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 (PubChem CID 158290351) has the molecular formula C77H95Cl2F4N13O10S4 and a molecular weight of 1637.85 g/mol. Its IUPAC name is 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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.

Molecular Properties

• Compound Name: 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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
• PubChem CID: 158290351
• Molecular Formula: C77H95Cl2F4N13O10S4
• Molecular Weight: 1637.85 g/mol
• Exact Mass: 1635.55
• IUPAC Name: 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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
• SMILES: CC(=O)N1CCC(c2c[nH]c3cc(F)c(Cl)cc23)CC1.CN(C)CCOc1ccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c2c1.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)N1CCC(c2c[nH]c3cc(F)c(Cl)cc23)CC1
• InChI: InChI=1S/C18H25N3O3S.C15H16ClFN2O.C15H20FN3O2S.C15H18FN3O2S.C14H16ClFN2O2S/c1-20(2)10-11-24-15-4-5-16-17(13-19-18(16)12-15)14-6-8-21(9-7-14)25(3,22)23;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-14(17)13(16)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/h4-6,12-13,19H,7-11H2,1-3H3;6-8,10,18H,2-5H2,1H3;3-4,9-11,17H,5-8H2,1-2H3;3-5,9-10,17H,6-8H2,1-2H3;6-9,17H,2-5H2,1H3
• InChIKey: GLGUEUJVPSDYDE-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 267.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.85
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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 (CID 158290351) is 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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.

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

The canonical SMILES for 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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 is CC(=O)N1CCC(c2c[nH]c3cc(F)c(Cl)cc23)CC1.CN(C)CCOc1ccc2c(C3=CCN(S(C)(=O)=O)CC3)c[nH]c2c1.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)N1CCC(c2c[nH]c3cc(F)c(Cl)cc23)CC1.

What is the InChIKey of 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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?

The InChIKey is GLGUEUJVPSDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S.C15H16ClFN2O.C15H20FN3O2S.C15H18FN3O2S.C14H16ClFN2O2S/c1-20(2)10-11-24-15-4-5-16-17(13-19-18(16)12-15)14-6-8-21(9-7-14)25(3,22)23;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-14(17)13(16)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/h4-6,12-13,19H,7-11H2,1-3H3;6-8,10,18H,2-5H2,1H3;3-4,9-11,17H,5-8H2,1-2H3;3-5,9-10,17H,6-8H2,1-2H3;6-9,17H,2-5H2,1H3.

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

1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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 has a molecular weight of 1637.85 g/mol, XLogP of 13.44, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;N,N-dimethyl-2-[[3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-6-yl]oxy]ethanamine;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 is sourced from PubChem (CID 158290351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).