N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate

C43H34Cl4F6N8O9S2 — CID 159539089

About N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate

N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate (PubChem CID 159539089) has the molecular formula C43H34Cl4F6N8O9S2 and a molecular weight of 1126.73 g/mol. Its IUPAC name is N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate
• PubChem CID: 159539089
• Molecular Formula: C43H34Cl4F6N8O9S2
• Molecular Weight: 1126.73 g/mol
• Exact Mass: 1124.05
• IUPAC Name: N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate
• SMILES: COCN(c1cc(Cl)cnc1C(=O)c1cccnc1NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Nc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C25H23Cl2F3N4O6S.C18H11Cl2F3N4O3S/c1-24(2,3)40-23(36)33-22-16(6-5-9-31-22)21(35)20-19(10-14(26)12-32-20)34(13-39-4)41(37,38)15-7-8-18(27)17(11-15)25(28,29)30;19-9-6-14(15(26-8-9)16(28)11-2-1-5-25-17(11)24)27-31(29,30)10-3-4-13(20)12(7-10)18(21,22)23/h5-12H,13H2,1-4H3,(H,31,33,36);1-8,27H,(H2,24,25)
• InChIKey: MDYTUKYSPKCLRX-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 242.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.73
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate?

The IUPAC name of N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate (CID 159539089) is N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate.

What is the SMILES notation for N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate?

The canonical SMILES for N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate is COCN(c1cc(Cl)cnc1C(=O)c1cccnc1NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Nc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate?

The InChIKey is MDYTUKYSPKCLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F3N4O6S.C18H11Cl2F3N4O3S/c1-24(2,3)40-23(36)33-22-16(6-5-9-31-22)21(35)20-19(10-14(26)12-32-20)34(13-39-4)41(37,38)15-7-8-18(27)17(11-15)25(28,29)30;19-9-6-14(15(26-8-9)16(28)11-2-1-5-25-17(11)24)27-31(29,30)10-3-4-13(20)12(7-10)18(21,22)23/h5-12H,13H2,1-4H3,(H,31,33,36);1-8,27H,(H2,24,25).

What are the key properties of N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate?

N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate has a molecular weight of 1126.73 g/mol, XLogP of 10.60, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159539089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).