3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

C20H22ClF3N4O3S — CID 55708355

About 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (PubChem CID 55708355) has the molecular formula C20H22ClF3N4O3S and a molecular weight of 490.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
• PubChem CID: 55708355
• Molecular Formula: C20H22ClF3N4O3S
• Molecular Weight: 490.94 g/mol
• Exact Mass: 490.11
• IUPAC Name: 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
• SMILES: O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C20H22ClF3N4O3S/c21-15-2-1-3-17(12-15)32(30,31)26-9-6-19(29)27-16-7-10-28(11-8-16)18-5-4-14(13-25-18)20(22,23)24/h1-5,12-13,16,26H,6-11H2,(H,27,29)
• InChIKey: KAEBNEJNXJMWBS-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.94
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?

The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (CID 55708355) is 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.

What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?

The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.

What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?

The InChIKey is KAEBNEJNXJMWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N4O3S/c21-15-2-1-3-17(12-15)32(30,31)26-9-6-19(29)27-16-7-10-28(11-8-16)18-5-4-14(13-25-18)20(22,23)24/h1-5,12-13,16,26H,6-11H2,(H,27,29).

What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?

3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide has a molecular weight of 490.94 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55708355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).