3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide

C74H87F4N13O9S4 — CID 161072030

About 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide (PubChem CID 161072030) has the molecular formula C74H87F4N13O9S4 and a molecular weight of 1506.85 g/mol. Its IUPAC name is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide
• PubChem CID: 161072030
• Molecular Formula: C74H87F4N13O9S4
• Molecular Weight: 1506.85 g/mol
• Exact Mass: 1505.56
• IUPAC Name: 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide
• SMILES: CC(=O)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1.CCN(CC)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.NS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C17H25N3O2S.C16H15N3O.C14H16F2N2O2S.C14H14F2N2O2S.C13H17N3O2S/c1-3-19(4-2)23(21,22)20-11-9-14(10-12-20)16-13-18-17-8-6-5-7-15(16)17;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;2*1-21(19,20)18-4-2-9(3-5-18)11-8-17-13-7-10(15)6-12(16)14(11)13;14-19(17,18)16-7-5-10(6-8-16)12-9-15-13-4-2-1-3-11(12)13/h5-8,13-14,18H,3-4,9-12H2,1-2H3;2-4,8,10,18H,5-7H2,1H3;6-9,17H,2-5H2,1H3;2,6-8,17H,3-5H2,1H3;1-4,9-10,15H,5-8H2,(H2,14,17,18)
• InChIKey: UEUAWCNRSMUJTC-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 301.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.85
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide?

The IUPAC name of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide (CID 161072030) is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide.

What is the SMILES notation for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide?

The canonical SMILES for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide is CC(=O)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1.CCN(CC)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.NS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.

What is the InChIKey of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide?

The InChIKey is UEUAWCNRSMUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.C16H15N3O.C14H16F2N2O2S.C14H14F2N2O2S.C13H17N3O2S/c1-3-19(4-2)23(21,22)20-11-9-14(10-12-20)16-13-18-17-8-6-5-7-15(16)17;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;2*1-21(19,20)18-4-2-9(3-5-18)11-8-17-13-7-10(15)6-12(16)14(11)13;14-19(17,18)16-7-5-10(6-8-16)12-9-15-13-4-2-1-3-11(12)13/h5-8,13-14,18H,3-4,9-12H2,1-2H3;2-4,8,10,18H,5-7H2,1H3;6-9,17H,2-5H2,1H3;2,6-8,17H,3-5H2,1H3;1-4,9-10,15H,5-8H2,(H2,14,17,18).

What are the key properties of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide?

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide has a molecular weight of 1506.85 g/mol, XLogP of 12.24, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 161072030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).