4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C23H23ClN4O3S2 — CID 75078988

About 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 75078988) has the molecular formula C23H23ClN4O3S2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 75078988
• Molecular Formula: C23H23ClN4O3S2
• Molecular Weight: 503.05 g/mol
• Exact Mass: 502.09
• IUPAC Name: 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=C1C(N2CCC(c3cccc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C23H23ClN4O3S2/c24-18-3-1-2-16(14-18)17-8-11-27(15-17)21-9-12-28(22(21)29)19-4-6-20(7-5-19)33(30,31)26-23-25-10-13-32-23/h1-7,10,13-14,17,21H,8-9,11-12,15H2,(H,25,26)
• InChIKey: GECZPYDHACICBN-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.05
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 75078988) is 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C(N2CCC(c3cccc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.

What is the InChIKey of 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is GECZPYDHACICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S2/c24-18-3-1-2-16(14-18)17-8-11-27(15-17)21-9-12-28(22(21)29)19-4-6-20(7-5-19)33(30,31)26-23-25-10-13-32-23/h1-7,10,13-14,17,21H,8-9,11-12,15H2,(H,25,26).

What are the key properties of 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 503.05 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75078988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).