1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

C136H187FN14O15S5 — CID 159948598

About 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 159948598) has the molecular formula C136H187FN14O15S5 and a molecular weight of 2437.41 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
• PubChem CID: 159948598
• Molecular Formula: C136H187FN14O15S5
• Molecular Weight: 2437.41 g/mol
• Exact Mass: 2435.29
• IUPAC Name: 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
• SMILES: CC(C)(C)C=Cc1ccccc1S(N)(=O)=O.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)Cc1ccccc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cnn(S(C)(=O)=O)c1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cnn(C2COC2)c1.COc1ccc(F)cc1C(C)C.COc1ccccc1C(C)(C)C
• InChI: InChI=1S/C19H21NO2S.C14H19NO.C13H17NO2S.C12H17NO2S.C11H15NO.C11H16O.C10H13FO.C10H12N2.C10H15NO2S.C9H14N2O.C9H14N2.C8H14N2O2S/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;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;1-7(2)9-6-8(11)4-5-10(9)12-3;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-3-10-11(4-8)9-5-12-6-9;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/h4-13H,14H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;5-9H,1-4H3;4-9H,1-3H3,(H2,13,14,15);4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;4-8,11H,1-3H3;3-4,7,9H,5-6H2,1-2H3;4-6H,1-3H3,(H2,10,11);5-6H,1-4H3
• InChIKey: OBUSWMCSLQKFLC-UHFFFAOYSA-N
• XLogP: 29.66
• TPSA: 401.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2437.41
LogP ≤ 5	29.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?

The IUPAC name of 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (CID 159948598) is 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.

What is the SMILES notation for 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?

The canonical SMILES for 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is CC(C)(C)C=Cc1ccccc1S(N)(=O)=O.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)Cc1ccccc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cnn(S(C)(=O)=O)c1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cnn(C2COC2)c1.COc1ccc(F)cc1C(C)C.COc1ccccc1C(C)(C)C.

What is the InChIKey of 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?

The InChIKey is OBUSWMCSLQKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S.C14H19NO.C13H17NO2S.C12H17NO2S.C11H15NO.C11H16O.C10H13FO.C10H12N2.C10H15NO2S.C9H14N2O.C9H14N2.C8H14N2O2S/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;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;1-7(2)9-6-8(11)4-5-10(9)12-3;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-3-10-11(4-8)9-5-12-6-9;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/h4-13H,14H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;5-9H,1-4H3;4-9H,1-3H3,(H2,13,14,15);4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;4-7H,1-3H3;3-8H,1-2H3;4-8,11H,1-3H3;3-4,7,9H,5-6H2,1-2H3;4-6H,1-3H3,(H2,10,11);5-6H,1-4H3.

What are the key properties of 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?

1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 2437.41 g/mol, XLogP of 29.66, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylsulfonyl-2-tert-butylindole;3-tert-butylbenzamide;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;5-tert-butylpyridin-2-amine;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159948598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).