4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C23H23F2N5O3S2 — CID 59465626

About 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465626) has the molecular formula C23H23F2N5O3S2 and a molecular weight of 519.60 g/mol. Its IUPAC name is 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 59465626
• Molecular Formula: C23H23F2N5O3S2
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.12
• IUPAC Name: 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=C1[C@@H](N2CCN(c3cccc(F)c3F)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C23H23F2N5O3S2/c24-18-2-1-3-19(21(18)25)28-11-13-29(14-12-28)20-8-10-30(22(20)31)16-4-6-17(7-5-16)35(32,33)27-23-26-9-15-34-23/h1-7,9,15,20H,8,10-14H2,(H,26,27)/t20-/m0/s1
• InChIKey: XPQLEDDRDIOCKX-FQEVSTJZSA-N
• XLogP: 3.15
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59465626) is 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

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

The canonical SMILES for 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1[C@@H](N2CCN(c3cccc(F)c3F)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.

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

The InChIKey is XPQLEDDRDIOCKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23F2N5O3S2/c24-18-2-1-3-19(21(18)25)28-11-13-29(14-12-28)20-8-10-30(22(20)31)16-4-6-17(7-5-16)35(32,33)27-23-26-9-15-34-23/h1-7,9,15,20H,8,10-14H2,(H,26,27)/t20-/m0/s1.

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

4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 519.60 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59465626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).