4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C24H24FN5O3S2 — CID 89178471

About 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 89178471) has the molecular formula C24H24FN5O3S2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 89178471
• Molecular Formula: C24H24FN5O3S2
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.13
• IUPAC Name: 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(F)ccc21
• InChI: InChI=1S/C24H24FN5O3S2/c1-17(30-10-8-18-16-19(25)2-7-22(18)30)23(31)29-13-11-28(12-14-29)20-3-5-21(6-4-20)35(32,33)27-24-26-9-15-34-24/h2-10,15-17H,11-14H2,1H3,(H,26,27)
• InChIKey: ZRVWBHOFAGIXNX-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 87.54 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	513.62
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 89178471) is 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2cc(F)ccc21.

What is the InChIKey of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is ZRVWBHOFAGIXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S2/c1-17(30-10-8-18-16-19(25)2-7-22(18)30)23(31)29-13-11-28(12-14-29)20-3-5-21(6-4-20)35(32,33)27-24-26-9-15-34-24/h2-10,15-17H,11-14H2,1H3,(H,26,27).

What are the key properties of 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 513.62 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 89178471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).