N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide

C97H92F12N14O10S8 — CID 161344490

About N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide

N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide (PubChem CID 161344490) has the molecular formula C97H92F12N14O10S8 and a molecular weight of 2098.40 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide
• PubChem CID: 161344490
• Molecular Formula: C97H92F12N14O10S8
• Molecular Weight: 2098.40 g/mol
• Exact Mass: 2096.47
• IUPAC Name: N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide
• SMILES: C=C1CC(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cn2)=NO1.C=C1N=C(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cc2)NN1.CCCc1cn(-c2ccc(S(=O)(=O)N(Cc3ccc(OC(F)(F)F)cc3)c3sc4ccccc4c3C)cc2)cn1.Cc1c(N(CCCCC(F)(F)F)S(=O)(=O)c2ccc(C3=NN=CC3)nc2)sc2ccccc12
• InChI: InChI=1S/C29H26F3N3O3S2.C23H23F3N4O2S2.C23H22F3N3O3S2.C22H21F3N4O2S2/c1-3-6-22-18-34(19-33-22)23-11-15-25(16-12-23)40(36,37)35(28-20(2)26-7-4-5-8-27(26)39-28)17-21-9-13-24(14-10-21)38-29(30,31)32;1-15-19-7-3-4-8-20(19)33-22(15)30(14-6-5-13-23(24,25)26)34(31,32)18-11-9-17(10-12-18)21-27-16(2)28-29-21;1-15-13-20(28-32-15)19-10-9-17(14-27-19)34(30,31)29(12-6-5-11-23(24,25)26)22-16(2)18-7-3-4-8-21(18)33-22;1-15-17-6-2-3-7-20(17)32-21(15)29(13-5-4-11-22(23,24)25)33(30,31)16-8-9-18(26-14-16)19-10-12-27-28-19/h4-5,7-16,18-19H,3,6,17H2,1-2H3;3-4,7-12,28H,2,5-6,13-14H2,1H3,(H,27,29);3-4,7-10,14H,1,5-6,11-13H2,2H3;2-3,6-9,12,14H,4-5,10-11,13H2,1H3
• InChIKey: VNCOOSMEMPQUST-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 285.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.40
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide?

The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide (CID 161344490) is N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide.

What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide?

The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide is C=C1CC(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cn2)=NO1.C=C1N=C(c2ccc(S(=O)(=O)N(CCCCC(F)(F)F)c3sc4ccccc4c3C)cc2)NN1.CCCc1cn(-c2ccc(S(=O)(=O)N(Cc3ccc(OC(F)(F)F)cc3)c3sc4ccccc4c3C)cc2)cn1.Cc1c(N(CCCCC(F)(F)F)S(=O)(=O)c2ccc(C3=NN=CC3)nc2)sc2ccccc12.

What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide?

The InChIKey is VNCOOSMEMPQUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O3S2.C23H23F3N4O2S2.C23H22F3N3O3S2.C22H21F3N4O2S2/c1-3-6-22-18-34(19-33-22)23-11-15-25(16-12-23)40(36,37)35(28-20(2)26-7-4-5-8-27(26)39-28)17-21-9-13-24(14-10-21)38-29(30,31)32;1-15-19-7-3-4-8-20(19)33-22(15)30(14-6-5-13-23(24,25)26)34(31,32)18-11-9-17(10-12-18)21-27-16(2)28-29-21;1-15-13-20(28-32-15)19-10-9-17(14-27-19)34(30,31)29(12-6-5-11-23(24,25)26)22-16(2)18-7-3-4-8-21(18)33-22;1-15-17-6-2-3-7-20(17)32-21(15)29(13-5-4-11-22(23,24)25)33(30,31)16-8-9-18(26-14-16)19-10-12-27-28-19/h4-5,7-16,18-19H,3,6,17H2,1-2H3;3-4,7-12,28H,2,5-6,13-14H2,1H3,(H,27,29);3-4,7-10,14H,1,5-6,11-13H2,2H3;2-3,6-9,12,14H,4-5,10-11,13H2,1H3.

What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide?

N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide has a molecular weight of 2098.40 g/mol, XLogP of 24.99, 33 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 161344490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).