N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide

C24H19F3N4O3S — CID 134150760

IUPACN-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccccc3C(F)(F)F)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-17(32)18-11-13-20(14-12-18)31(35(33,34)21-7-3-2-4-8-21)16-19-15-30(29-28-19)23-10-6-5-9-22(23)24(25,26)27/h2-15H,16H2,1H3
InChIKeyWQYPRLQSOIPDTI-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.88
Rot. Bonds7

About N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide

N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide (PubChem CID 134150760) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
PubChem CID134150760
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccccc3C(F)(F)F)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-17(32)18-11-13-20(14-12-18)31(35(33,34)21-7-3-2-4-8-21)16-19-15-30(29-28-19)23-10-6-5-9-22(23)24(25,26)27/h2-15H,16H2,1H3
InChIKeyWQYPRLQSOIPDTI-UHFFFAOYSA-N
XLogP4.88
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide (CID 134150760) is N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide is CC(=O)c1ccc(N(Cc2cn(-c3ccccc3C(F)(F)F)nn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is WQYPRLQSOIPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-17(32)18-11-13-20(14-12-18)31(35(33,34)21-7-3-2-4-8-21)16-19-15-30(29-28-19)23-10-6-5-9-22(23)24(25,26)27/h2-15H,16H2,1H3.
What are the key properties of N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 500.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134150760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).