4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide

C60H48Cl3F6N19O8S2 — CID 159798620

About 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide

4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide (PubChem CID 159798620) has the molecular formula C60H48Cl3F6N19O8S2 and a molecular weight of 1447.65 g/mol. Its IUPAC name is 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide
• PubChem CID: 159798620
• Molecular Formula: C60H48Cl3F6N19O8S2
• Molecular Weight: 1447.65 g/mol
• Exact Mass: 1445.23
• IUPAC Name: 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide
• SMILES: CC(=O)Nc1ccc(C(=O)Nc2nc(NCC(F)(F)F)nc(-c3ccccn3)n2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2nc(NCC(F)(F)F)nc(-c3ccccn3)n2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2nc(NCc3ccccc3)nc(-c3ccccn3)n2)c(Cl)c1
• InChI: InChI=1S/C23H19ClN6O3S.C19H15ClF3N7O2.C18H14ClF3N6O3S/c1-34(32,33)16-10-11-17(18(24)13-16)21(31)29-23-28-20(19-9-5-6-12-25-19)27-22(30-23)26-14-15-7-3-2-4-8-15;1-10(31)26-11-5-6-12(13(20)8-11)16(32)29-18-28-15(14-4-2-3-7-24-14)27-17(30-18)25-9-19(21,22)23;1-32(30,31)10-5-6-11(12(19)8-10)15(29)27-17-26-14(13-4-2-3-7-23-13)25-16(28-17)24-9-18(20,21)22/h2-13H,14H2,1H3,(H2,26,27,28,29,30,31);2-8H,9H2,1H3,(H,26,31)(H2,25,27,28,29,30,32);2-8H,9H2,1H3,(H2,24,25,26,27,28,29)
• InChIKey: NJMLZSCCCIRMFP-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 375.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1447.65
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide?

The IUPAC name of 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide (CID 159798620) is 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide.

What is the SMILES notation for 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide?

The canonical SMILES for 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(NCC(F)(F)F)nc(-c3ccccn3)n2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2nc(NCC(F)(F)F)nc(-c3ccccn3)n2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2nc(NCc3ccccc3)nc(-c3ccccn3)n2)c(Cl)c1.

What is the InChIKey of 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide?

The InChIKey is NJMLZSCCCIRMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3S.C19H15ClF3N7O2.C18H14ClF3N6O3S/c1-34(32,33)16-10-11-17(18(24)13-16)21(31)29-23-28-20(19-9-5-6-12-25-19)27-22(30-23)26-14-15-7-3-2-4-8-15;1-10(31)26-11-5-6-12(13(20)8-11)16(32)29-18-28-15(14-4-2-3-7-24-14)27-17(30-18)25-9-19(21,22)23;1-32(30,31)10-5-6-11(12(19)8-10)15(29)27-17-26-14(13-4-2-3-7-23-13)25-16(28-17)24-9-18(20,21)22/h2-13H,14H2,1H3,(H2,26,27,28,29,30,31);2-8H,9H2,1H3,(H,26,31)(H2,25,27,28,29,30,32);2-8H,9H2,1H3,(H2,24,25,26,27,28,29).

What are the key properties of 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide?

4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide has a molecular weight of 1447.65 g/mol, XLogP of 10.84, 19 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-2-chloro-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide;N-[4-(benzylamino)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-chloro-4-methylsulfonylbenzamide;2-chloro-4-methylsulfonyl-N-[4-pyridin-2-yl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 159798620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).