1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole

C153H217N17O6S2 — CID 160613631

About 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole

1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole (PubChem CID 160613631) has the molecular formula C153H217N17O6S2 and a molecular weight of 2454.67 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole.

Molecular Properties

• Compound Name: 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole
• PubChem CID: 160613631
• Molecular Formula: C153H217N17O6S2
• Molecular Weight: 2454.67 g/mol
• Exact Mass: 2452.66
• IUPAC Name: 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole
• SMILES: CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)Cc1ccccc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cnn(S(C)(=O)=O)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2nn(C)cc2c1.CCCc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)C)o1.Cn1nc(C(C)(C)C)c2c1CCCC2
• InChI: InChI=1S/C19H21NO2S.C15H21N.C13H18N2.2C13H17N.C12H20N2.C12H16O.C11H14N2.C10H18N2.C10H15N.C9H14N2.C8H14N2O2S.C8H12O/c1-19(2,3)18-13-16-11-7-8-12-17(16)20(18)23(21,22)14-15-9-5-4-6-10-15;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-7(2)10-6-11-12(8(3)4)9(10)5;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-5-9-10(6-7)13(4,11)12;1-6(2)8-5-4-7(3)9-8/h4-13H,14H2,1-3H3;6-7,9-11H,5,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-8H2,1-4H3;4-7,11H,8H2,1-3H3;4-8H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3,(H2,10,11);5-6H,1-4H3;4-6H,1-3H3
• InChIKey: RFULGMQGSWLHJY-UHFFFAOYSA-N
• XLogP: 39.11
• TPSA: 251.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2454.67
LogP ≤ 5	39.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole?

The IUPAC name of 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole (CID 160613631) is 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole.

What is the SMILES notation for 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole?

The canonical SMILES for 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole is CC(C)(C)C1Cc2ccccc2O1.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)Cc1ccccc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cnn(S(C)(=O)=O)c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2nn(C)cc2c1.CCCc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)C)o1.Cn1nc(C(C)(C)C)c2c1CCCC2.

What is the InChIKey of 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole?

The InChIKey is RFULGMQGSWLHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S.C15H21N.C13H18N2.2C13H17N.C12H20N2.C12H16O.C11H14N2.C10H18N2.C10H15N.C9H14N2.C8H14N2O2S.C8H12O/c1-19(2,3)18-13-16-11-7-8-12-17(16)20(18)23(21,22)14-15-9-5-4-6-10-15;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-7(2)10-6-11-12(8(3)4)9(10)5;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-5-9-10(6-7)13(4,11)12;1-6(2)8-5-4-7(3)9-8/h4-13H,14H2,1-3H3;6-7,9-11H,5,8H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-8H2,1-4H3;4-7,11H,8H2,1-3H3;4-8H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-6H,1-3H3,(H2,10,11);5-6H,1-4H3;4-6H,1-3H3.

What are the key properties of 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole?

1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole has a molecular weight of 2454.67 g/mol, XLogP of 39.11, 15 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole is sourced from PubChem (CID 160613631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).