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

C16H15ClF3N3O7S2 — CID 146054749

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

5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146054749) has the molecular formula C16H15ClF3N3O7S2 and a molecular weight of 517.89 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 146054749
• Molecular Formula: C16H15ClF3N3O7S2
• Molecular Weight: 517.89 g/mol
• Exact Mass: 517.00
• IUPAC Name: 5-[(5-chlorothiophen-2-yl)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(Cl)s2)cnc1N1CCOCC1
• InChI: InChI=1S/C14H14ClN3O5S2.C2HF3O2/c15-11-1-2-12(24-11)25(21,22)17-9-7-10(14(19)20)13(16-8-9)18-3-5-23-6-4-18;3-2(4,5)1(6)7/h1-2,7-8,17H,3-6H2,(H,19,20);(H,6,7)
• InChIKey: FIZIBNMMVJCSOJ-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 146.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.89
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146054749) is 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 5-[(5-chlorothiophen-2-yl)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(Cl)s2)cnc1N1CCOCC1.

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

The InChIKey is FIZIBNMMVJCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S2.C2HF3O2/c15-11-1-2-12(24-11)25(21,22)17-9-7-10(14(19)20)13(16-8-9)18-3-5-23-6-4-18;3-2(4,5)1(6)7/h1-2,7-8,17H,3-6H2,(H,19,20);(H,6,7).

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

5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 517.89 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146054749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).