3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane

C95H104BBrF9I2N15O11S3 — CID 160614245

About 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane

3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane (PubChem CID 160614245) has the molecular formula C95H104BBrF9I2N15O11S3 and a molecular weight of 2243.68 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane.

Molecular Properties

• Compound Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane
• PubChem CID: 160614245
• Molecular Formula: C95H104BBrF9I2N15O11S3
• Molecular Weight: 2243.68 g/mol
• Exact Mass: 2241.44
• IUPAC Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane
• SMILES: C1CCOC1.CCc1cn(C2CC2)cn1.CNS(=O)(=O)c1ccc(Cc2ccc(C(F)(F)F)cn2)c(-c2cn(C3CC3)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(C4CC4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1.IC1=CCC=N1.Ic1cn(C2CC2)cn1.OB(O)C1CC1
• InChI: InChI=1S/C28H27F3N4O3S.C22H20BrF3N2O3S.C20H19F3N4O2S.C8H12N2.C6H7IN2.C4H4IN.C4H8O.C3H7BO2/c1-34(16-19-3-10-24(38-2)11-4-19)39(36,37)25-12-5-20(13-22-7-6-21(15-32-22)28(29,30)31)26(14-25)27-17-35(18-33-27)23-8-9-23;1-28(14-15-3-8-19(31-2)9-4-15)32(29,30)20-10-5-16(21(23)12-20)11-18-7-6-17(13-27-18)22(24,25)26;1-24-30(28,29)17-7-2-13(8-15-4-3-14(10-25-15)20(21,22)23)18(9-17)19-11-27(12-26-19)16-5-6-16;1-2-7-5-10(6-9-7)8-3-4-8;7-6-3-9(4-8-6)5-1-2-5;5-4-2-1-3-6-4;1-2-4-5-3-1;5-4(6)3-1-2-3/h3-7,10-12,14-15,17-18,23H,8-9,13,16H2,1-2H3;3-10,12-13H,11,14H2,1-2H3;2-4,7,9-12,16,24H,5-6,8H2,1H3;5-6,8H,2-4H2,1H3;3-5H,1-2H2;2-3H,1H2;1-4H2;3,5-6H,1-2H2
• InChIKey: RFWOVXOIURQKOJ-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 311.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.68
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane?

The IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane (CID 160614245) is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane.

What is the SMILES notation for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane?

The canonical SMILES for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane is C1CCOC1.CCc1cn(C2CC2)cn1.CNS(=O)(=O)c1ccc(Cc2ccc(C(F)(F)F)cn2)c(-c2cn(C3CC3)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(C4CC4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1.IC1=CCC=N1.Ic1cn(C2CC2)cn1.OB(O)C1CC1.

What is the InChIKey of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane?

The InChIKey is RFWOVXOIURQKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3S.C22H20BrF3N2O3S.C20H19F3N4O2S.C8H12N2.C6H7IN2.C4H4IN.C4H8O.C3H7BO2/c1-34(16-19-3-10-24(38-2)11-4-19)39(36,37)25-12-5-20(13-22-7-6-21(15-32-22)28(29,30)31)26(14-25)27-17-35(18-33-27)23-8-9-23;1-28(14-15-3-8-19(31-2)9-4-15)32(29,30)20-10-5-16(21(23)12-20)11-18-7-6-17(13-27-18)22(24,25)26;1-24-30(28,29)17-7-2-13(8-15-4-3-14(10-25-15)20(21,22)23)18(9-17)19-11-27(12-26-19)16-5-6-16;1-2-7-5-10(6-9-7)8-3-4-8;7-6-3-9(4-8-6)5-1-2-5;5-4-2-1-3-6-4;1-2-4-5-3-1;5-4(6)3-1-2-3/h3-7,10-12,14-15,17-18,23H,8-9,13,16H2,1-2H3;3-10,12-13H,11,14H2,1-2H3;2-4,7,9-12,16,24H,5-6,8H2,1H3;5-6,8H,2-4H2,1H3;3-5H,1-2H2;2-3H,1H2;1-4H2;3,5-6H,1-2H2.

What are the key properties of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane?

3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane has a molecular weight of 2243.68 g/mol, XLogP of 20.56, 26 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane is sourced from PubChem (CID 160614245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).