3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C22H20F3N3O3S — CID 161108351

IUPAC3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccnc(CC(=O)Cc2cc(S(=O)(=O)NCC(F)(F)F)ccc2-c2ccccc2)n1
InChIInChI=1S/C22H20F3N3O3S/c1-15-9-10-26-21(28-15)13-18(29)11-17-12-19(32(30,31)27-14-22(23,24)25)7-8-20(17)16-5-3-2-4-6-16/h2-10,12,27H,11,13-14H2,1H3
InChIKeyUJJCCPFOWGPODP-UHFFFAOYSA-N
MW463.48 g/mol
LogP3.65
Rot. Bonds8

About 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 161108351) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID161108351
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC Name3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccnc(CC(=O)Cc2cc(S(=O)(=O)NCC(F)(F)F)ccc2-c2ccccc2)n1
InChIInChI=1S/C22H20F3N3O3S/c1-15-9-10-26-21(28-15)13-18(29)11-17-12-19(32(30,31)27-14-22(23,24)25)7-8-20(17)16-5-3-2-4-6-16/h2-10,12,27H,11,13-14H2,1H3
InChIKeyUJJCCPFOWGPODP-UHFFFAOYSA-N
XLogP3.65
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 160773317
3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 158141798
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
1-(2,5-dimethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145413
1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 137483114
N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 170125944
2-pyridin-4-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 25469665
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
CID 126796523

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 161108351) is 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccnc(CC(=O)Cc2cc(S(=O)(=O)NCC(F)(F)F)ccc2-c2ccccc2)n1.
What is the InChIKey of 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UJJCCPFOWGPODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-15-9-10-26-21(28-15)13-18(29)11-17-12-19(32(30,31)27-14-22(23,24)25)7-8-20(17)16-5-3-2-4-6-16/h2-10,12,27H,11,13-14H2,1H3.
What are the key properties of 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 463.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 161108351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).