1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol

C21H19ClF3N3O4S — CID 122594627

About 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol

1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol (PubChem CID 122594627) has the molecular formula C21H19ClF3N3O4S and a molecular weight of 501.91 g/mol. Its IUPAC name is 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

• Compound Name: 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
• PubChem CID: 122594627
• Molecular Formula: C21H19ClF3N3O4S
• Molecular Weight: 501.91 g/mol
• Exact Mass: 501.07
• IUPAC Name: 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
• SMILES: O=S(=O)(c1cc(-c2ncc(-c3ccccc3OC(F)(F)F)[nH]2)ccc1Cl)N1CCC(O)CC1
• InChI: InChI=1S/C21H19ClF3N3O4S/c22-16-6-5-13(11-19(16)33(30,31)28-9-7-14(29)8-10-28)20-26-12-17(27-20)15-3-1-2-4-18(15)32-21(23,24)25/h1-6,11-12,14,29H,7-10H2,(H,26,27)
• InChIKey: DGEZNVOLDJMREO-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 95.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.91
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?

The IUPAC name of 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol (CID 122594627) is 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol.

What is the SMILES notation for 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?

The canonical SMILES for 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1cc(-c2ncc(-c3ccccc3OC(F)(F)F)[nH]2)ccc1Cl)N1CCC(O)CC1.

What is the InChIKey of 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?

The InChIKey is DGEZNVOLDJMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O4S/c22-16-6-5-13(11-19(16)33(30,31)28-9-7-14(29)8-10-28)20-26-12-17(27-20)15-3-1-2-4-18(15)32-21(23,24)25/h1-6,11-12,14,29H,7-10H2,(H,26,27).

What are the key properties of 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?

1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol has a molecular weight of 501.91 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 122594627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).