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

C21H21ClN4O4S — CID 16924089

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

1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 16924089) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 16924089
• Molecular Formula: C21H21ClN4O4S
• Molecular Weight: 460.94 g/mol
• Exact Mass: 460.10
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: Cc1ccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1
• InChI: InChI=1S/C21H21ClN4O4S/c1-13-5-10-17(14(2)12-13)20-24-25-21(30-20)23-19(27)18-4-3-11-26(18)31(28,29)16-8-6-15(22)7-9-16/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,25,27)
• InChIKey: NGTJHQULHGOTSN-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.94
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 16924089) is 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1.

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

The InChIKey is NGTJHQULHGOTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-13-5-10-17(14(2)12-13)20-24-25-21(30-20)23-19(27)18-4-3-11-26(18)31(28,29)16-8-6-15(22)7-9-16/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,25,27).

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

1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 460.94 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16924089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).