4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C46H44Cl2F6N6O8S2 — CID 161316890

About 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 161316890) has the molecular formula C46H44Cl2F6N6O8S2 and a molecular weight of 1057.92 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 161316890
• Molecular Formula: C46H44Cl2F6N6O8S2
• Molecular Weight: 1057.92 g/mol
• Exact Mass: 1056.19
• IUPAC Name: 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(C)cnc1C(=O)c1c(C)ccnc1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(O)c1c(C)ccnc1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C23H23ClF3N3O4S.C23H21ClF3N3O4S/c2*1-13-9-19(21(29-11-13)22(31)20-14(2)7-8-28-15(20)3)30(12-34-4)35(32,33)16-5-6-18(24)17(10-16)23(25,26)27/h5-11,22,31H,12H2,1-4H3;5-11H,12H2,1-4H3
• InChIKey: VJPPDVBUECDRJN-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 182.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.92
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 161316890) is 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(C)cnc1C(=O)c1c(C)ccnc1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(C)cnc1C(O)c1c(C)ccnc1C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is VJPPDVBUECDRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O4S.C23H21ClF3N3O4S/c2*1-13-9-19(21(29-11-13)22(31)20-14(2)7-8-28-15(20)3)30(12-34-4)35(32,33)16-5-6-18(24)17(10-16)23(25,26)27/h5-11,22,31H,12H2,1-4H3;5-11H,12H2,1-4H3.

What are the key properties of 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1057.92 g/mol, XLogP of 10.06, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-[(2,4-dimethyl-3-pyridinyl)-hydroxymethyl]-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 161316890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).