4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide

C15H11F4NO3S — CID 3694127

IUPAC4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F4NO3S/c1-9(21)10-2-5-12(6-3-10)24(22,23)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,20H,1H3
InChIKeyXXIULWAMMPOIBJ-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.85
Rot. Bonds4

About 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide

4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3694127) has the molecular formula C15H11F4NO3S and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3694127
Molecular FormulaC15H11F4NO3S
Molecular Weight361.32 g/mol
Exact Mass361.04
IUPAC Name4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F4NO3S/c1-9(21)10-2-5-12(6-3-10)24(22,23)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,20H,1H3
InChIKeyXXIULWAMMPOIBJ-UHFFFAOYSA-N
XLogP3.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propanoic acid
CID 15676596
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3694127) is 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is XXIULWAMMPOIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO3S/c1-9(21)10-2-5-12(6-3-10)24(22,23)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,20H,1H3.
What are the key properties of 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 361.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3694127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).