N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide

C17H17ClF4N4O5S — CID 18620565

About N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide

N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide (PubChem CID 18620565) has the molecular formula C17H17ClF4N4O5S and a molecular weight of 500.86 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide
• PubChem CID: 18620565
• Molecular Formula: C17H17ClF4N4O5S
• Molecular Weight: 500.86 g/mol
• Exact Mass: 500.05
• IUPAC Name: N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide
• SMILES: Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)NS(=O)(=O)NC(C)(C)C)c(Cl)cc2F)c1=O
• InChI: InChI=1S/C17H17ClF4N4O5S/c1-16(2,3)24-32(30,31)23-14(28)8-5-11(10(19)6-9(8)18)26-13(27)7-12(17(20,21)22)25(4)15(26)29/h5-7,24H,1-4H3,(H,23,28)
• InChIKey: SGCNZRJORALYEN-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 119.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.86
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide?

The IUPAC name of N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide (CID 18620565) is N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide.

What is the SMILES notation for N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide?

The canonical SMILES for N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide is Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)NS(=O)(=O)NC(C)(C)C)c(Cl)cc2F)c1=O.

What is the InChIKey of N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide?

The InChIKey is SGCNZRJORALYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF4N4O5S/c1-16(2,3)24-32(30,31)23-14(28)8-5-11(10(19)6-9(8)18)26-13(27)7-12(17(20,21)22)25(4)15(26)29/h5-7,24H,1-4H3,(H,23,28).

What are the key properties of N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide?

N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide has a molecular weight of 500.86 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(tert-butylsulfamoyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide is sourced from PubChem (CID 18620565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).