2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide

C68H52Cl2F3N21O8S3 — CID 160704480

About 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide

2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 160704480) has the molecular formula C68H52Cl2F3N21O8S3 and a molecular weight of 1515.40 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 160704480
• Molecular Formula: C68H52Cl2F3N21O8S3
• Molecular Weight: 1515.40 g/mol
• Exact Mass: 1513.28
• IUPAC Name: 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide
• SMILES: CSc1nc(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(C#N)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc(-c2ccccn2)n1
• InChI: InChI=1S/C17H14ClN5O3S2.C17H14ClN5O3S.C17H12F3N5O.C17H12N6O/c1-27-17-21-14(13-5-3-4-8-19-13)20-16(23-17)22-15(24)11-7-6-10(9-12(11)18)28(2,25)26;1-10-20-15(14-5-3-4-8-19-14)22-17(21-10)23-16(24)12-7-6-11(9-13(12)18)27(2,25)26;1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)17(18,19)20;1-11-20-15(14-4-2-3-9-19-14)22-17(21-11)23-16(24)13-7-5-12(10-18)6-8-13/h3-9H,1-2H3,(H,20,21,22,23,24);3-9H,1-2H3,(H,20,21,22,23,24);2-9H,1H3,(H,22,23,24,25,26);2-9H,1H3,(H,20,21,22,23,24)
• InChIKey: RRAUZRZZYJFPEG-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 414.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.40
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide (CID 160704480) is 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide is CSc1nc(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(C#N)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(C)(=O)=O)cc2Cl)nc(-c2ccccn2)n1.

What is the InChIKey of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is RRAUZRZZYJFPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3S2.C17H14ClN5O3S.C17H12F3N5O.C17H12N6O/c1-27-17-21-14(13-5-3-4-8-19-13)20-16(23-17)22-15(24)11-7-6-10(9-12(11)18)28(2,25)26;1-10-20-15(14-5-3-4-8-19-14)22-17(21-10)23-16(24)12-7-6-11(9-13(12)18)27(2,25)26;1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)17(18,19)20;1-11-20-15(14-4-2-3-9-19-14)22-17(21-11)23-16(24)13-7-5-12(10-18)6-8-13/h3-9H,1-2H3,(H,20,21,22,23,24);3-9H,1-2H3,(H,20,21,22,23,24);2-9H,1H3,(H,22,23,24,25,26);2-9H,1H3,(H,20,21,22,23,24).

What are the key properties of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide?

2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 1515.40 g/mol, XLogP of 11.40, 15 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 160704480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).