4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane

C₃₆H₃₅Cl₄F₆N₅O₁₀S₂ — CID 157216106

About 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane

4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane (PubChem CID 157216106) has the molecular formula C₃₆H₃₅Cl₄F₆N₅O₁₀S₂ and a molecular weight of 1017.63 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane
• PubChem CID: 157216106
• Molecular Formula: C₃₆H₃₅Cl₄F₆N₅O₁₀S₂
• Molecular Weight: 1017.63 g/mol
• Exact Mass: 1015.05
• IUPAC Name: 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane
• SMILES: C.COCN(c1cc(Cl)cnc1C(=O)N1CCOCC1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C20H20Cl2F3N3O5S.C15H11Cl2F3N2O5S.CH4/c1-12-10-33-6-5-27(12)19(29)18-17(7-13(21)9-26-18)28(11-32-2)34(30,31)14-3-4-16(22)15(8-14)20(23,24)25;1-27-7-22(12-4-8(16)6-21-13(12)14(23)24)28(25,26)9-2-3-11(17)10(5-9)15(18,19)20;/h3-4,7-9,12H,5-6,10-11H2,1-2H3;2-6H,7H2,1H3,(H,23,24);1H4
• InChIKey: ASKYKJPTFWOCTB-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 185.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.63
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane?

The IUPAC name of 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane (CID 157216106) is 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane.

What is the SMILES notation for 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane?

The canonical SMILES for 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane is C.COCN(c1cc(Cl)cnc1C(=O)N1CCOCC1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane?

The InChIKey is ASKYKJPTFWOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F3N3O5S.C15H11Cl2F3N2O5S.CH4/c1-12-10-33-6-5-27(12)19(29)18-17(7-13(21)9-26-18)28(11-32-2)34(30,31)14-3-4-16(22)15(8-14)20(23,24)25;1-27-7-22(12-4-8(16)6-21-13(12)14(23)24)28(25,26)9-2-3-11(17)10(5-9)15(18,19)20;/h3-4,7-9,12H,5-6,10-11H2,1-2H3;2-6H,7H2,1H3,(H,23,24);1H4.

What are the key properties of 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane?

4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane has a molecular weight of 1017.63 g/mol, XLogP of 8.61, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane is sourced from PubChem (CID 157216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157216106 — identifiers, structure, computed properties (public domain)

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