2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C96H108BrN17O12S3 — CID 159434051

About 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 159434051) has the molecular formula C96H108BrN17O12S3 and a molecular weight of 1868.13 g/mol. Its IUPAC name is 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

• Compound Name: 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
• PubChem CID: 159434051
• Molecular Formula: C96H108BrN17O12S3
• Molecular Weight: 1868.13 g/mol
• Exact Mass: 1865.67
• IUPAC Name: 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3ccc(C)cc32)cc1.Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3CC2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(S(=O)(=O)n2c(CCCBr)cc3ccc(C)cc32)cc1.Cc1ccc2c(c1)NC(CCCn1cnc3c1c(=O)n(C)c(=O)n3C)C2.Cc1ccc2c(c1)NCC2.Cn1c(=O)c2[nH]cnc2n(C)c1=O
• InChI: InChI=1S/C26H29N5O4S.C19H20BrNO2S.C19H23N5O2.C16H17NO2S.C9H11N.C7H8N4O2/c1-17-8-11-21(12-9-17)36(34,35)31-20(15-19-10-7-18(2)14-22(19)31)6-5-13-30-16-27-24-23(30)25(32)29(4)26(33)28(24)3;1-14-6-9-18(10-7-14)24(22,23)21-17(4-3-11-20)13-16-8-5-15(2)12-19(16)21;1-12-6-7-13-10-14(21-15(13)9-12)5-4-8-24-11-20-17-16(24)18(25)23(3)19(26)22(17)2;1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17;1-7-2-3-8-4-5-10-9(8)6-7;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h7-12,14,16,20H,5-6,13,15H2,1-4H3;5-10,12-13H,3-4,11H2,1-2H3;6-7,9,11,14,21H,4-5,8,10H2,1-3H3;3-8,11H,9-10H2,1-2H3;2-3,6,10H,4-5H2,1H3;3H,1-2H3,(H,8,9)
• InChIKey: LRIPVWSDDBQPKX-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 334.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.13
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?

The IUPAC name of 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 159434051) is 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

What is the SMILES notation for 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?

The canonical SMILES for 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2CCc3ccc(C)cc32)cc1.Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3CC2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(S(=O)(=O)n2c(CCCBr)cc3ccc(C)cc32)cc1.Cc1ccc2c(c1)NC(CCCn1cnc3c1c(=O)n(C)c(=O)n3C)C2.Cc1ccc2c(c1)NCC2.Cn1c(=O)c2[nH]cnc2n(C)c1=O.

What is the InChIKey of 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?

The InChIKey is LRIPVWSDDBQPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S.C19H20BrNO2S.C19H23N5O2.C16H17NO2S.C9H11N.C7H8N4O2/c1-17-8-11-21(12-9-17)36(34,35)31-20(15-19-10-7-18(2)14-22(19)31)6-5-13-30-16-27-24-23(30)25(32)29(4)26(33)28(24)3;1-14-6-9-18(10-7-14)24(22,23)21-17(4-3-11-20)13-16-8-5-15(2)12-19(16)21;1-12-6-7-13-10-14(21-15(13)9-12)5-4-8-24-11-20-17-16(24)18(25)23(3)19(26)22(17)2;1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17;1-7-2-3-8-4-5-10-9(8)6-7;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h7-12,14,16,20H,5-6,13,15H2,1-4H3;5-10,12-13H,3-4,11H2,1-2H3;6-7,9,11,14,21H,4-5,8,10H2,1-3H3;3-8,11H,9-10H2,1-2H3;2-3,6,10H,4-5H2,1H3;3H,1-2H3,(H,8,9).

What are the key properties of 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?

2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 1868.13 g/mol, XLogP of 13.01, 17 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonylindole;1,3-dimethyl-7-[3-(6-methyl-2,3-dihydro-1H-indol-2-yl)propyl]purine-2,6-dione;1,3-dimethyl-7-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]propyl]purine-2,6-dione;1,3-dimethyl-7H-purine-2,6-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 159434051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).