3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine

C104H105BrF12IN17O14S5 — CID 159871823

About 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine

3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159871823) has the molecular formula C104H105BrF12IN17O14S5 and a molecular weight of 2412.21 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 159871823
• Molecular Formula: C104H105BrF12IN17O14S5
• Molecular Weight: 2412.21 g/mol
• Exact Mass: 2409.47
• IUPAC Name: 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine
• SMILES: CNS(=O)(=O)c1ccc(Cc2cc(C(F)(F)F)ccn2)c(-c2cn(C)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3cc(C(F)(F)F)ccn3)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(Br)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)cc1.Cn1cnc(I)c1.Nc1cc(C(F)(F)F)ccn1
• InChI: InChI=1S/C26H25F3N4O3S.C19H20FN3O3S.C18H17F3N4O2S.C16H18FNO3S.C15H15BrFNO3S.C6H5F3N2.C4H5IN2/c1-32-16-25(31-17-32)24-14-23(37(34,35)33(2)15-18-4-7-22(36-3)8-5-18)9-6-19(24)12-21-13-20(10-11-30-21)26(27,28)29;1-22-12-19(21-13-22)17-10-16(8-9-18(17)20)27(24,25)23(2)11-14-4-6-15(26-3)7-5-14;1-22-28(26,27)15-4-3-12(16(9-15)17-10-25(2)11-24-17)7-14-8-13(5-6-23-14)18(19,20)21;1-12-10-15(8-9-16(12)17)22(19,20)18(2)11-13-4-6-14(21-3)7-5-13;1-18(10-11-3-5-12(21-2)6-4-11)22(19,20)13-7-8-15(17)14(16)9-13;7-6(8,9)4-1-2-11-5(10)3-4;1-7-2-4(5)6-3-7/h4-11,13-14,16-17H,12,15H2,1-3H3;4-10,12-13H,11H2,1-3H3;3-6,8-11,22H,7H2,1-2H3;4-10H,11H2,1-3H3;3-9H,10H2,1-2H3;1-3H,(H2,10,11);2-3H,1H3
• InChIKey: NSLHOFKANNVVOM-UHFFFAOYSA-N
• XLogP: 20.06
• TPSA: 368.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.21
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine (CID 159871823) is 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine is CNS(=O)(=O)c1ccc(Cc2cc(C(F)(F)F)ccn2)c(-c2cn(C)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3cc(C(F)(F)F)ccn3)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(Br)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)cc1.Cn1cnc(I)c1.Nc1cc(C(F)(F)F)ccn1.

What is the InChIKey of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is NSLHOFKANNVVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S.C19H20FN3O3S.C18H17F3N4O2S.C16H18FNO3S.C15H15BrFNO3S.C6H5F3N2.C4H5IN2/c1-32-16-25(31-17-32)24-14-23(37(34,35)33(2)15-18-4-7-22(36-3)8-5-18)9-6-19(24)12-21-13-20(10-11-30-21)26(27,28)29;1-22-12-19(21-13-22)17-10-16(8-9-18(17)20)27(24,25)23(2)11-14-4-6-15(26-3)7-5-14;1-22-28(26,27)15-4-3-12(16(9-15)17-10-25(2)11-24-17)7-14-8-13(5-6-23-14)18(19,20)21;1-12-10-15(8-9-16(12)17)22(19,20)18(2)11-13-4-6-14(21-3)7-5-13;1-18(10-11-3-5-12(21-2)6-4-11)22(19,20)13-7-8-15(17)14(16)9-13;7-6(8,9)4-1-2-11-5(10)3-4;1-7-2-4(5)6-3-7/h4-11,13-14,16-17H,12,15H2,1-3H3;4-10,12-13H,11H2,1-3H3;3-6,8-11,22H,7H2,1-2H3;4-10H,11H2,1-3H3;3-9H,10H2,1-2H3;1-3H,(H2,10,11);2-3H,1H3.

What are the key properties of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine?

3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2412.21 g/mol, XLogP of 20.06, 29 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159871823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).