N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

C18H19ClFN3O3S — CID 20921499

About N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (PubChem CID 20921499) has the molecular formula C18H19ClFN3O3S and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• PubChem CID: 20921499
• Molecular Formula: C18H19ClFN3O3S
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.08
• IUPAC Name: N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• SMILES: O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)Nc1cccc(Cl)c1
• InChI: InChI=1S/C18H19ClFN3O3S/c19-15-6-3-7-16(11-15)21-18(24)13-23-10-4-9-22(27(23,25)26)12-14-5-1-2-8-17(14)20/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)
• InChIKey: KKWZJVMSOFZOOP-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (CID 20921499) is N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)Nc1cccc(Cl)c1.

What is the InChIKey of N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The InChIKey is KKWZJVMSOFZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3S/c19-15-6-3-7-16(11-15)21-18(24)13-23-10-4-9-22(27(23,25)26)12-14-5-1-2-8-17(14)20/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24).

What are the key properties of N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is sourced from PubChem (CID 20921499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).