1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

C22H23ClN4O7S — CID 16924047

About 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 16924047) has the molecular formula C22H23ClN4O7S and a molecular weight of 522.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 16924047
• Molecular Formula: C22H23ClN4O7S
• Molecular Weight: 522.97 g/mol
• Exact Mass: 522.10
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: COc1cc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc(OC)c1OC
• InChI: InChI=1S/C22H23ClN4O7S/c1-31-17-11-13(12-18(32-2)19(17)33-3)21-25-26-22(34-21)24-20(28)16-5-4-10-27(16)35(29,30)15-8-6-14(23)7-9-15/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,24,26,28)
• InChIKey: PVWZVCQMODSGKC-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 133.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.97
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 16924047) is 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is COc1cc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc(OC)c1OC.

What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is PVWZVCQMODSGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O7S/c1-31-17-11-13(12-18(32-2)19(17)33-3)21-25-26-22(34-21)24-20(28)16-5-4-10-27(16)35(29,30)15-8-6-14(23)7-9-15/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,24,26,28).

What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 522.97 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16924047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).