1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate

C166H193BrN10O30S7 — CID 158358859

About 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate

1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate (PubChem CID 158358859) has the molecular formula C166H193BrN10O30S7 and a molecular weight of 3112.78 g/mol. Its IUPAC name is 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate.

Molecular Properties

• Compound Name: 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate
• PubChem CID: 158358859
• Molecular Formula: C166H193BrN10O30S7
• Molecular Weight: 3112.78 g/mol
• Exact Mass: 3109.11
• IUPAC Name: 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate
• SMILES: CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCBr)cc1.COc1cc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC.COc1cc(CNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1
• InChI: InChI=1S/C31H38N2O6S.C31H38N2O5S.C30H36N2O6S.C30H36N2O5S.C24H23NO5S2.C20H22BrNO3S/c1-22(2)26-21-33-17-7-6-9-27(33)31(26)40(34,35)25-12-10-24(11-13-25)39-18-8-15-32-16-14-23-19-28(36-3)30(38-5)29(20-23)37-4;1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5;1-21(2)25-20-32-15-7-6-9-26(32)30(25)39(33,34)24-12-10-23(11-13-24)38-16-8-14-31-19-22-17-27(35-3)29(37-5)28(18-22)36-4;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-17(2)22-16-25-15-5-4-6-23(25)24(22)31(26,27)20-13-9-19(10-14-20)30-32(28,29)21-11-7-18(3)8-12-21;1-15(2)18-14-22-12-4-3-6-19(22)20(18)26(23,24)17-9-7-16(8-10-17)25-13-5-11-21/h6-7,9-13,17,19-22,32H,8,14-16,18H2,1-5H3;6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3;6-7,9-13,15,17-18,20-21,31H,8,14,16,19H2,1-5H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;4-17H,1-3H3;3-4,6-10,12,14-15H,5,11,13H2,1-2H3
• InChIKey: GTFKYSGSHWPPOY-UHFFFAOYSA-N
• XLogP: 32.40
• TPSA: 452.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 66
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3112.78
LogP ≤ 5	32.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate?

The IUPAC name of 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate (CID 158358859) is 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate.

What is the SMILES notation for 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate?

The canonical SMILES for 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate is CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCBr)cc1.COc1cc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC.COc1cc(CNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1.

What is the InChIKey of 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate?

The InChIKey is GTFKYSGSHWPPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O6S.C31H38N2O5S.C30H36N2O6S.C30H36N2O5S.C24H23NO5S2.C20H22BrNO3S/c1-22(2)26-21-33-17-7-6-9-27(33)31(26)40(34,35)25-12-10-24(11-13-25)39-18-8-15-32-16-14-23-19-28(36-3)30(38-5)29(20-23)37-4;1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5;1-21(2)25-20-32-15-7-6-9-26(32)30(25)39(33,34)24-12-10-23(11-13-24)38-16-8-14-31-19-22-17-27(35-3)29(37-5)28(18-22)36-4;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-17(2)22-16-25-15-5-4-6-23(25)24(22)31(26,27)20-13-9-19(10-14-20)30-32(28,29)21-11-7-18(3)8-12-21;1-15(2)18-14-22-12-4-3-6-19(22)20(18)26(23,24)17-9-7-16(8-10-17)25-13-5-11-21/h6-7,9-13,17,19-22,32H,8,14-16,18H2,1-5H3;6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3;6-7,9-13,15,17-18,20-21,31H,8,14,16,19H2,1-5H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;4-17H,1-3H3;3-4,6-10,12,14-15H,5,11,13H2,1-2H3.

What are the key properties of 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate?

1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate has a molecular weight of 3112.78 g/mol, XLogP of 32.40, 66 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 158358859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).