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

C24H19F3N4O3S — CID 134140807

IUPACN-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-17(32)18-7-11-22(12-8-18)31(35(33,34)23-5-3-2-4-6-23)16-20-15-30(29-28-20)21-13-9-19(10-14-21)24(25,26)27/h2-15H,16H2,1H3
InChIKeyPUPNUIOLRYYGHO-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.88
Rot. Bonds7

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

N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide (PubChem CID 134140807) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
PubChem CID134140807
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-17(32)18-7-11-22(12-8-18)31(35(33,34)23-5-3-2-4-6-23)16-20-15-30(29-28-20)21-13-9-19(10-14-21)24(25,26)27/h2-15H,16H2,1H3
InChIKeyPUPNUIOLRYYGHO-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

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
4-(4-Benzoyltriazol-1-yl)benzenesulfonamide
CID 145952834
4-[4-(4-Methylbenzoyl)triazol-1-yl]benzenesulfonamide
CID 145953466
4-[4-(4-Fluorobenzoyl)triazol-1-yl]benzenesulfonamide
CID 145958447
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide
CID 134139203
N-(4-acetylphenyl)-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
CID 134150760
4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 147709549
[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 31425892
(E)-3-[4-(diethylamino)phenyl]-1-[3-[4-(3,5-difluorophenyl)triazol-1-yl]phenyl]prop-2-en-1-one
CID 118707710
N-(4-acetylphenyl)-N-[[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
CID 134131671

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide (CID 134140807) is N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide is CC(=O)c1ccc(N(Cc2cn(-c3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is PUPNUIOLRYYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-17(32)18-7-11-22(12-8-18)31(35(33,34)23-5-3-2-4-6-23)16-20-15-30(29-28-20)21-13-9-19(10-14-21)24(25,26)27/h2-15H,16H2,1H3.
What are the key properties of N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide?
N-(4-acetylphenyl)-N-[[1-[4-(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-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134140807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).