N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide

C16H12F3NO4S — CID 46568918

IUPACN-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H12F3NO4S/c1-10(21)11-2-6-13(7-3-11)20-15(22)12-4-8-14(9-5-12)25(23,24)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyCEIGQQUOWQPADB-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.43
Rot. Bonds4

About N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide

N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 46568918) has the molecular formula C16H12F3NO4S and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID46568918
Molecular FormulaC16H12F3NO4S
Molecular Weight371.34 g/mol
Exact Mass371.04
IUPAC NameN-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H12F3NO4S/c1-10(21)11-2-6-13(7-3-11)20-15(22)12-4-8-14(9-5-12)25(23,24)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyCEIGQQUOWQPADB-UHFFFAOYSA-N
XLogP3.43
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55916990
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
1-(4-tert-butylsulfonylphenyl)ethanone
CID 21402495
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide (CID 46568918) is N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide is CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is CEIGQQUOWQPADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4S/c1-10(21)11-2-6-13(7-3-11)20-15(22)12-4-8-14(9-5-12)25(23,24)16(17,18)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 371.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 46568918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).