3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane

C114H108Br2F14I2N16O9S3 — CID 158259382

About 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane

3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane (PubChem CID 158259382) has the molecular formula C114H108Br2F14I2N16O9S3 and a molecular weight of 2622.01 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane.

Molecular Properties

• Compound Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane
• PubChem CID: 158259382
• Molecular Formula: C114H108Br2F14I2N16O9S3
• Molecular Weight: 2622.01 g/mol
• Exact Mass: 2618.39
• IUPAC Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane
• SMILES: C.C1CCOC1.CNS(=O)(=O)c1ccc(Cc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3F)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(Cc4ccccc4F)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1.Cc1cn(Cc2ccccc2F)cn1.Fc1ccccc1CBr.Fc1ccccc1Cn1cnc(I)c1.Ic1cnc[nH]1
• InChI: InChI=1S/C32H28F4N4O3S.C24H20F4N4O2S.C22H20BrF3N2O3S.C11H11FN2.C10H8FIN2.C7H6BrF.C4H8O.C3H3IN2.CH4/c1-39(18-22-7-12-27(43-2)13-8-22)44(41,42)28-14-9-23(15-26-11-10-25(17-37-26)32(34,35)36)29(16-28)31-20-40(21-38-31)19-24-5-3-4-6-30(24)33;1-29-35(33,34)20-9-6-16(10-19-8-7-18(12-30-19)24(26,27)28)21(11-20)23-14-32(15-31-23)13-17-4-2-3-5-22(17)25;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;1-9-6-14(8-13-9)7-10-4-2-3-5-11(10)12;11-9-4-2-1-3-8(9)5-14-6-10(12)13-7-14;8-5-6-3-1-2-4-7(6)9;1-2-4-5-3-1;4-3-1-5-2-6-3;/h3-14,16-17,20-21H,15,18-19H2,1-2H3;2-9,11-12,14-15,29H,10,13H2,1H3;3-10,12-13H,11,14H2,1-2H3;2-6,8H,7H2,1H3;1-4,6-7H,5H2;1-4H,5H2;1-4H2;1-2H,(H,5,6);1H4
• InChIKey: GHROYAQQXPTZBV-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 287.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2622.01
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane?

The IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane (CID 158259382) is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane.

What is the SMILES notation for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane?

The canonical SMILES for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane is C.C1CCOC1.CNS(=O)(=O)c1ccc(Cc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3F)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(Cc4ccccc4F)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1.Cc1cn(Cc2ccccc2F)cn1.Fc1ccccc1CBr.Fc1ccccc1Cn1cnc(I)c1.Ic1cnc[nH]1.

What is the InChIKey of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane?

The InChIKey is GHROYAQQXPTZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F4N4O3S.C24H20F4N4O2S.C22H20BrF3N2O3S.C11H11FN2.C10H8FIN2.C7H6BrF.C4H8O.C3H3IN2.CH4/c1-39(18-22-7-12-27(43-2)13-8-22)44(41,42)28-14-9-23(15-26-11-10-25(17-37-26)32(34,35)36)29(16-28)31-20-40(21-38-31)19-24-5-3-4-6-30(24)33;1-29-35(33,34)20-9-6-16(10-19-8-7-18(12-30-19)24(26,27)28)21(11-20)23-14-32(15-31-23)13-17-4-2-3-5-22(17)25;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;1-9-6-14(8-13-9)7-10-4-2-3-5-11(10)12;11-9-4-2-1-3-8(9)5-14-6-10(12)13-7-14;8-5-6-3-1-2-4-7(6)9;1-2-4-5-3-1;4-3-1-5-2-6-3;/h3-14,16-17,20-21H,15,18-19H2,1-2H3;2-9,11-12,14-15,29H,10,13H2,1H3;3-10,12-13H,11,14H2,1-2H3;2-6,8H,7H2,1H3;1-4,6-7H,5H2;1-4H,5H2;1-4H2;1-2H,(H,5,6);1H4.

What are the key properties of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane?

3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane has a molecular weight of 2622.01 g/mol, XLogP of 26.73, 29 rotatable bonds, 2 hydrogen bond donors, and 21 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;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane is sourced from PubChem (CID 158259382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).