sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine

C109H116BBr3F11N20NaO13S4 — CID 158491402

About sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine

sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158491402) has the molecular formula C109H116BBr3F11N20NaO13S4 and a molecular weight of 2525.01 g/mol. Its IUPAC name is sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 158491402
• Molecular Formula: C109H116BBr3F11N20NaO13S4
• Molecular Weight: 2525.01 g/mol
• Exact Mass: 2520.53
• IUPAC Name: sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine
• SMILES: Brc1cn(C2CC2)cn1.Brc1cn(C2CC2)cn1.Brc1cnc[nH]1.CNS(=O)(=O)c1ccc(Cc2cc(C(F)(F)F)ccn2)c(-c2cn(C3CC3)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3cc(C(F)(F)F)ccn3)c(-c3cn(C4CC4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3cn(C4CC4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)cc1.Nc1cc(C(F)(F)F)ccn1.OB(O)C1CC1.[H-].[Na+]
• InChI: InChI=1S/C28H27F3N4O3S.C21H22FN3O3S.C20H19F3N4O2S.C16H18FNO3S.2C6H7BrN2.C6H5F3N2.C3H7BO2.C3H3BrN2.Na.H/c1-34(16-19-3-8-24(38-2)9-4-19)39(36,37)25-10-5-20(13-22-14-21(11-12-32-22)28(29,30)31)26(15-25)27-17-35(18-33-27)23-6-7-23;1-24(12-15-3-7-17(28-2)8-4-15)29(26,27)18-9-10-20(22)19(11-18)21-13-25(14-23-21)16-5-6-16;1-24-30(28,29)17-5-2-13(8-15-9-14(6-7-25-15)20(21,22)23)18(10-17)19-11-27(12-26-19)16-3-4-16;1-12-10-15(8-9-16(12)17)22(19,20)18(2)11-13-4-6-14(21-3)7-5-13;2*7-6-3-9(4-8-6)5-1-2-5;7-6(8,9)4-1-2-11-5(10)3-4;5-4(6)3-1-2-3;4-3-1-5-2-6-3;;/h3-5,8-12,14-15,17-18,23H,6-7,13,16H2,1-2H3;3-4,7-11,13-14,16H,5-6,12H2,1-2H3;2,5-7,9-12,16,24H,3-4,8H2,1H3;4-10H,11H2,1-3H3;2*3-5H,1-2H2;1-3H,(H2,10,11);3,5-6H,1-2H2;1-2H,(H,5,6);;/q;;;;;;;;;+1;-1
• InChIKey: VAWBGDBHIYMCCH-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 408.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.01
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine (CID 158491402) is sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine is Brc1cn(C2CC2)cn1.Brc1cn(C2CC2)cn1.Brc1cnc[nH]1.CNS(=O)(=O)c1ccc(Cc2cc(C(F)(F)F)ccn2)c(-c2cn(C3CC3)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3cc(C(F)(F)F)ccn3)c(-c3cn(C4CC4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3cn(C4CC4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)cc1.Nc1cc(C(F)(F)F)ccn1.OB(O)C1CC1.[H-].[Na+].

What is the InChIKey of sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is VAWBGDBHIYMCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3S.C21H22FN3O3S.C20H19F3N4O2S.C16H18FNO3S.2C6H7BrN2.C6H5F3N2.C3H7BO2.C3H3BrN2.Na.H/c1-34(16-19-3-8-24(38-2)9-4-19)39(36,37)25-10-5-20(13-22-14-21(11-12-32-22)28(29,30)31)26(15-25)27-17-35(18-33-27)23-6-7-23;1-24(12-15-3-7-17(28-2)8-4-15)29(26,27)18-9-10-20(22)19(11-18)21-13-25(14-23-21)16-5-6-16;1-24-30(28,29)17-5-2-13(8-15-9-14(6-7-25-15)20(21,22)23)18(10-17)19-11-27(12-26-19)16-3-4-16;1-12-10-15(8-9-16(12)17)22(19,20)18(2)11-13-4-6-14(21-3)7-5-13;2*7-6-3-9(4-8-6)5-1-2-5;7-6(8,9)4-1-2-11-5(10)3-4;5-4(6)3-1-2-3;4-3-1-5-2-6-3;;/h3-5,8-12,14-15,17-18,23H,6-7,13,16H2,1-2H3;3-4,7-11,13-14,16H,5-6,12H2,1-2H3;2,5-7,9-12,16,24H,3-4,8H2,1H3;4-10H,11H2,1-3H3;2*3-5H,1-2H2;1-3H,(H2,10,11);3,5-6H,1-2H2;1-2H,(H,5,6);;/q;;;;;;;;;+1;-1.

What are the key properties of sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine?

sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2525.01 g/mol, XLogP of 19.89, 30 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158491402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).