N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide

C21H18ClF3N4O3S — CID 176830892

About N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide

N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide (PubChem CID 176830892) has the molecular formula C21H18ClF3N4O3S and a molecular weight of 498.91 g/mol. Its IUPAC name is N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
• PubChem CID: 176830892
• Molecular Formula: C21H18ClF3N4O3S
• Molecular Weight: 498.91 g/mol
• Exact Mass: 498.07
• IUPAC Name: N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
• SMILES: Cc1cc(C(F)(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(Cl)c2)ccc1NS(C)(=O)=O
• InChI: InChI=1S/C21H18ClF3N4O3S/c1-11-7-17(21(23,24)25)28-18(12-3-4-12)19(11)32-20-16(29-33(2,30)31)6-5-15(27-20)13-8-14(22)10-26-9-13/h5-10,12,29H,3-4H2,1-2H3
• InChIKey: RGTSGVWLKRICOX-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.91
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide (CID 176830892) is N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide is Cc1cc(C(F)(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(Cl)c2)ccc1NS(C)(=O)=O.

What is the InChIKey of N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?

The InChIKey is RGTSGVWLKRICOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O3S/c1-11-7-17(21(23,24)25)28-18(12-3-4-12)19(11)32-20-16(29-33(2,30)31)6-5-15(27-20)13-8-14(22)10-26-9-13/h5-10,12,29H,3-4H2,1-2H3.

What are the key properties of N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?

N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide has a molecular weight of 498.91 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 176830892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).