N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C28H32F3N3O4S — CID 167623559

About N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 167623559) has the molecular formula C28H32F3N3O4S and a molecular weight of 563.64 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 167623559
• Molecular Formula: C28H32F3N3O4S
• Molecular Weight: 563.64 g/mol
• Exact Mass: 563.21
• IUPAC Name: N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1cc(C)c(Oc2nc(C3=CCC(C(F)(F)F)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.[H][H].[H][H]
• InChI: InChI=1S/C28H28F3N3O4S.2H2/c1-16-14-17(2)25(18(3)15-16)38-27-22(26(35)34-39(36,37)24-7-5-6-19(4)32-24)12-13-23(33-27)20-8-10-21(11-9-20)28(29,30)31;;/h5-8,12-15,21H,9-11H2,1-4H3,(H,34,35);2*1H
• InChIKey: MTSQXIDCEGPSEA-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.64
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 167623559) is N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is Cc1cc(C)c(Oc2nc(C3=CCC(C(F)(F)F)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(C)n2)c(C)c1.[H][H].[H][H].

What is the InChIKey of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is MTSQXIDCEGPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O4S.2H2/c1-16-14-17(2)25(18(3)15-16)38-27-22(26(35)34-39(36,37)24-7-5-6-19(4)32-24)12-13-23(33-27)20-8-10-21(11-9-20)28(29,30)31;;/h5-8,12-15,21H,9-11H2,1-4H3,(H,34,35);2*1H.

What are the key properties of N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 563.64 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167623559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).