3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C22H17F6N3O3S — CID 160773317

IUPAC3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=C(Cc1nccc(C(F)(F)F)n1)Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C22H17F6N3O3S/c23-21(24,25)13-30-35(33,34)17-6-7-18(14-4-2-1-3-5-14)15(11-17)10-16(32)12-20-29-9-8-19(31-20)22(26,27)28/h1-9,11,30H,10,12-13H2
InChIKeyRZPNSCASDFTRCD-UHFFFAOYSA-N
MW517.45 g/mol
LogP4.36
Rot. Bonds8

About 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 160773317) has the molecular formula C22H17F6N3O3S and a molecular weight of 517.45 g/mol. Its IUPAC name is 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID160773317
Molecular FormulaC22H17F6N3O3S
Molecular Weight517.45 g/mol
Exact Mass517.09
IUPAC Name3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=C(Cc1nccc(C(F)(F)F)n1)Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C22H17F6N3O3S/c23-21(24,25)13-30-35(33,34)17-6-7-18(14-4-2-1-3-5-14)15(11-17)10-16(32)12-20-29-9-8-19(31-20)22(26,27)28/h1-9,11,30H,10,12-13H2
InChIKeyRZPNSCASDFTRCD-UHFFFAOYSA-N
XLogP4.36
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-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-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 161108351
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-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 137483114
1-(2,5-dimethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145413
2-pyridin-4-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 25469665
2-[2-[4-(benzylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid;2-[2-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
CID 160541132
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 160773317) is 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=C(Cc1nccc(C(F)(F)F)n1)Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is RZPNSCASDFTRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N3O3S/c23-21(24,25)13-30-35(33,34)17-6-7-18(14-4-2-1-3-5-14)15(11-17)10-16(32)12-20-29-9-8-19(31-20)22(26,27)28/h1-9,11,30H,10,12-13H2.
What are the key properties of 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 517.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 160773317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).