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

C16H15ClF4N4O5S — CID 11329250

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

2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 11329250) has the molecular formula C16H15ClF4N4O5S and a molecular weight of 486.83 g/mol. Its IUPAC name is 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 11329250
• Molecular Formula: C16H15ClF4N4O5S
• Molecular Weight: 486.83 g/mol
• Exact Mass: 486.04
• IUPAC Name: 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: CC(C)N(C)S(=O)(=O)NC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl
• InChI: InChI=1S/C16H15ClF4N4O5S/c1-7(2)24(3)31(29,30)23-14(27)8-4-11(10(18)5-9(8)17)25-13(26)6-12(16(19,20)21)22-15(25)28/h4-7H,1-3H3,(H,22,28)(H,23,27)
• InChIKey: ASCZLNVIWHMJNZ-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 121.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.83
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 11329250) is 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide.

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

The canonical SMILES for 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)NC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl.

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

The InChIKey is ASCZLNVIWHMJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF4N4O5S/c1-7(2)24(3)31(29,30)23-14(27)8-4-11(10(18)5-9(8)17)25-13(26)6-12(16(19,20)21)22-15(25)28/h4-7H,1-3H3,(H,22,28)(H,23,27).

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

2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 486.83 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluoro-N-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 11329250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).