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

C23H20F3NO4S — CID 158141798

IUPAC3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=C(Cc1cccc(O)c1)Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C23H20F3NO4S/c24-23(25,26)15-27-32(30,31)21-9-10-22(17-6-2-1-3-7-17)18(14-21)13-20(29)12-16-5-4-8-19(28)11-16/h1-11,14,27-28H,12-13,15H2
InChIKeyFUALWMAKLZZUCD-UHFFFAOYSA-N
MW463.48 g/mol
LogP4.25
Rot. Bonds8

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

3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 158141798) has the molecular formula C23H20F3NO4S and a molecular weight of 463.48 g/mol. Its IUPAC name is 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID158141798
Molecular FormulaC23H20F3NO4S
Molecular Weight463.48 g/mol
Exact Mass463.11
IUPAC Name3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=C(Cc1cccc(O)c1)Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C23H20F3NO4S/c24-23(25,26)15-27-32(30,31)21-9-10-22(17-6-2-1-3-7-17)18(14-21)13-20(29)12-16-5-4-8-19(28)11-16/h1-11,14,27-28H,12-13,15H2
InChIKeyFUALWMAKLZZUCD-UHFFFAOYSA-N
XLogP4.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 160773317
3-[3-(4-methylpyrimidin-2-yl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 161108351
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 158395011
1-cyclopentyl-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 137483114
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
N-ethoxy-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 159347975
1-(2,5-dimethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145413
N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 160708004
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
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 158141798) is 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=C(Cc1cccc(O)c1)Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FUALWMAKLZZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4S/c24-23(25,26)15-27-32(30,31)21-9-10-22(17-6-2-1-3-7-17)18(14-21)13-20(29)12-16-5-4-8-19(28)11-16/h1-11,14,27-28H,12-13,15H2.
What are the key properties of 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 463.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 158141798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).