N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide

C21H18ClF3N4O4S — CID 146184731

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 146184731) has the molecular formula C21H18ClF3N4O4S and a molecular weight of 514.91 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

• Compound Name: N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide
• PubChem CID: 146184731
• Molecular Formula: C21H18ClF3N4O4S
• Molecular Weight: 514.91 g/mol
• Exact Mass: 514.07
• IUPAC Name: N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide
• SMILES: O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1
• InChI: InChI=1S/C21H18ClF3N4O4S/c22-16-7-3-14(4-8-16)19-27-28-20(33-19)26-18(30)13-5-9-17(10-6-13)34(31,32)29-11-1-2-15(12-29)21(23,24)25/h3-10,15H,1-2,11-12H2,(H,26,28,30)
• InChIKey: PFYGRHDEYVOHBH-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.91
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide?

The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide (CID 146184731) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide.

What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide?

The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1.

What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide?

The InChIKey is PFYGRHDEYVOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O4S/c22-16-7-3-14(4-8-16)19-27-28-20(33-19)26-18(30)13-5-9-17(10-6-13)34(31,32)29-11-1-2-15(12-29)21(23,24)25/h3-10,15H,1-2,11-12H2,(H,26,28,30).

What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide?

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 514.91 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 146184731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).