5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C24H28F3N3O7S — CID 146054754

About 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146054754) has the molecular formula C24H28F3N3O7S and a molecular weight of 559.56 g/mol. Its IUPAC name is 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 146054754
• Molecular Formula: C24H28F3N3O7S
• Molecular Weight: 559.56 g/mol
• Exact Mass: 559.16
• IUPAC Name: 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(O)c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CCOCC1
• InChI: InChI=1S/C22H27N3O5S.C2HF3O2/c26-22(27)20-14-18(15-23-21(20)25-10-12-30-13-11-25)24-31(28,29)19-8-6-17(7-9-19)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h6-9,14-16,24H,1-5,10-13H2,(H,26,27);(H,6,7)
• InChIKey: HAAUFJHOPBLKFX-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 146.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.56
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146054754) is 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CCOCC1.

What is the InChIKey of 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is HAAUFJHOPBLKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S.C2HF3O2/c26-22(27)20-14-18(15-23-21(20)25-10-12-30-13-11-25)24-31(28,29)19-8-6-17(7-9-19)16-4-2-1-3-5-16;3-2(4,5)1(6)7/h6-9,14-16,24H,1-5,10-13H2,(H,26,27);(H,6,7).

What are the key properties of 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 559.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146054754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).