1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C24H20ClN3O3S2 — CID 16827761

About 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 16827761) has the molecular formula C24H20ClN3O3S2 and a molecular weight of 498.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 16827761
• Molecular Formula: C24H20ClN3O3S2
• Molecular Weight: 498.03 g/mol
• Exact Mass: 497.06
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H20ClN3O3S2/c25-19-9-11-20(12-10-19)33(30,31)28-13-3-6-22(28)23(29)27-24-26-21(15-32-24)18-8-7-16-4-1-2-5-17(16)14-18/h1-2,4-5,7-12,14-15,22H,3,6,13H2,(H,26,27,29)
• InChIKey: PMOVGFJIACLYEX-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.03
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 16827761) is 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is PMOVGFJIACLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S2/c25-19-9-11-20(12-10-19)33(30,31)28-13-3-6-22(28)23(29)27-24-26-21(15-32-24)18-8-7-16-4-1-2-5-17(16)14-18/h1-2,4-5,7-12,14-15,22H,3,6,13H2,(H,26,27,29).

What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 16827761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).