5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C25H30F4N4O7S — CID 146054781

About 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146054781) has the molecular formula C25H30F4N4O7S and a molecular weight of 606.60 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 146054781
• Molecular Formula: C25H30F4N4O7S
• Molecular Weight: 606.60 g/mol
• Exact Mass: 606.18
• IUPAC Name: 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N1CCC(CCN2CCOCC2)CC1
• InChI: InChI=1S/C23H29FN4O5S.C2HF3O2/c24-18-2-1-3-20(14-18)34(31,32)26-19-15-21(23(29)30)22(25-16-19)28-8-5-17(6-9-28)4-7-27-10-12-33-13-11-27;3-2(4,5)1(6)7/h1-3,14-17,26H,4-13H2,(H,29,30);(H,6,7)
• InChIKey: SESPUQVJDQDNCT-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 149.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.60
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146054781) is 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N1CCC(CCN2CCOCC2)CC1.

What is the InChIKey of 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is SESPUQVJDQDNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5S.C2HF3O2/c24-18-2-1-3-20(14-18)34(31,32)26-19-15-21(23(29)30)22(25-16-19)28-8-5-17(6-9-28)4-7-27-10-12-33-13-11-27;3-2(4,5)1(6)7/h1-3,14-17,26H,4-13H2,(H,29,30);(H,6,7).

What are the key properties of 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 606.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)sulfonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146054781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).