2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C97H111BrN16O12S3 — CID 158607383

About 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 158607383) has the molecular formula C97H111BrN16O12S3 and a molecular weight of 1869.16 g/mol. Its IUPAC name is 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
• PubChem CID: 158607383
• Molecular Formula: C97H111BrN16O12S3
• Molecular Weight: 1869.16 g/mol
• Exact Mass: 1866.69
• IUPAC Name: 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)ccc3CC2CCCBr)cc1.Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3CC2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc2c(c1)NC(CCCn1cnc3c1c(=O)n(C)c(=O)n3C)C2.Cc1ccc2c(c1)NCC2.Cn1c2c(c(=O)n(C)c1=O)CC=N2
• InChI: InChI=1S/C26H29N5O4S.C19H22BrNO2S.C19H23N5O2.C16H17NO2S.C9H11N.C8H9N3O2/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;1-10-6-5(3-4-9-6)7(12)11(2)8(10)13/h7-12,14,16,20H,5-6,13,15H2,1-4H3;5-10,12,17H,3-4,11,13H2,1-2H3;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;4H,3H2,1-2H3
• InChIKey: HWKBTNJUHLJWCL-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 316.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.16
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 158607383) is 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)ccc3CC2CCCBr)cc1.Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3CC2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc2c(c1)NC(CCCn1cnc3c1c(=O)n(C)c(=O)n3C)C2.Cc1ccc2c(c1)NCC2.Cn1c2c(c(=O)n(C)c1=O)CC=N2.

What is the InChIKey of 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?

The InChIKey is HWKBTNJUHLJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S.C19H22BrNO2S.C19H23N5O2.C16H17NO2S.C9H11N.C8H9N3O2/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;1-10-6-5(3-4-9-6)7(12)11(2)8(10)13/h7-12,14,16,20H,5-6,13,15H2,1-4H3;5-10,12,17H,3-4,11,13H2,1-2H3;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;4H,3H2,1-2H3.

What are the key properties of 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-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)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 1869.16 g/mol, XLogP of 13.17, 17 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromopropyl)-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole;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-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;6-methyl-2,3-dihydro-1H-indole;6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 158607383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).