N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C27H22F3N3O4S — CID 131989375

About N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 131989375) has the molecular formula C27H22F3N3O4S and a molecular weight of 541.55 g/mol. Its IUPAC name is N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 131989375
• Molecular Formula: C27H22F3N3O4S
• Molecular Weight: 541.55 g/mol
• Exact Mass: 541.13
• IUPAC Name: N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(C(F)(F)F)cc3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1
• InChI: InChI=1S/C27H22F3N3O4S/c1-16-14-17(2)24(18(3)15-16)37-26-21(25(34)33-38(35,36)23-6-4-5-13-31-23)11-12-22(32-26)19-7-9-20(10-8-19)27(28,29)30/h4-15H,1-3H3,(H,33,34)
• InChIKey: UYXNULQMOYRUOQ-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.55
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 131989375) is N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(C(F)(F)F)cc3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1.

What is the InChIKey of N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is UYXNULQMOYRUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O4S/c1-16-14-17(2)24(18(3)15-16)37-26-21(25(34)33-38(35,36)23-6-4-5-13-31-23)11-12-22(32-26)19-7-9-20(10-8-19)27(28,29)30/h4-15H,1-3H3,(H,33,34).

What are the key properties of N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 541.55 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 131989375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).