N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide

C22H20ClFN4O4S2 — CID 5174273

About N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide

N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 5174273) has the molecular formula C22H20ClFN4O4S2 and a molecular weight of 523.01 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

• Compound Name: N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
• PubChem CID: 5174273
• Molecular Formula: C22H20ClFN4O4S2
• Molecular Weight: 523.01 g/mol
• Exact Mass: 522.06
• IUPAC Name: N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
• SMILES: O=C(NNS(=O)(=O)c1ccccc1)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1
• InChI: InChI=1S/C22H20ClFN4O4S2/c23-16-7-4-8-17(24)19(16)22(30)28-11-9-14(10-12-28)21-25-18(13-33-21)20(29)26-27-34(31,32)15-5-2-1-3-6-15/h1-8,13-14,27H,9-12H2,(H,26,29)
• InChIKey: DHJVXEHFGCUFMP-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.01
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

The IUPAC name of N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide (CID 5174273) is N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide.

What is the SMILES notation for N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

The canonical SMILES for N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1.

What is the InChIKey of N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

The InChIKey is DHJVXEHFGCUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O4S2/c23-16-7-4-8-17(24)19(16)22(30)28-11-9-14(10-12-28)21-25-18(13-33-21)20(29)26-27-34(31,32)15-5-2-1-3-6-15/h1-8,13-14,27H,9-12H2,(H,26,29).

What are the key properties of N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 523.01 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(benzenesulfonyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 5174273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).