6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole

C62H79ClN8O9S4 — CID 158277167

About 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole

6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 158277167) has the molecular formula C62H79ClN8O9S4 and a molecular weight of 1244.08 g/mol. Its IUPAC name is 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

• Compound Name: 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole
• PubChem CID: 158277167
• Molecular Formula: C62H79ClN8O9S4
• Molecular Weight: 1244.08 g/mol
• Exact Mass: 1242.45
• IUPAC Name: 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole
• SMILES: CC(C)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1.O=S(=O)(C1CC1)N1CCC(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C16H22N2O3S.C16H20N2O2S.C16H22N2O2S.C14H15ClN2O2S/c1-21-10-11-22(19,20)18-8-6-13(7-9-18)15-12-17-16-5-3-2-4-14(15)16;19-21(20,13-5-6-13)18-9-7-12(8-10-18)15-11-17-16-4-2-1-3-14(15)16;1-12(2)21(19,20)18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h2-5,12-13,17H,6-11H2,1H3;1-4,11-13,17H,5-10H2;3-6,11-13,17H,7-10H2,1-2H3;2-4,8-9,16H,5-7H2,1H3
• InChIKey: GJTCGTXCEAEPIY-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 221.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1244.08
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

The IUPAC name of 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole (CID 158277167) is 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole.

What is the SMILES notation for 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

The canonical SMILES for 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole is CC(C)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1.O=S(=O)(C1CC1)N1CCC(c2c[nH]c3ccccc23)CC1.

What is the InChIKey of 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

The InChIKey is GJTCGTXCEAEPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S.C16H20N2O2S.C16H22N2O2S.C14H15ClN2O2S/c1-21-10-11-22(19,20)18-8-6-13(7-9-18)15-12-17-16-5-3-2-4-14(15)16;19-21(20,13-5-6-13)18-9-7-12(8-10-18)15-11-17-16-4-2-1-3-14(15)16;1-12(2)21(19,20)18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h2-5,12-13,17H,6-11H2,1H3;1-4,11-13,17H,5-10H2;3-6,11-13,17H,7-10H2,1-2H3;2-4,8-9,16H,5-7H2,1H3.

What are the key properties of 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1244.08 g/mol, XLogP of 11.12, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 158277167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).