N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide

C25H24N4O3S — CID 134150296

IUPACN-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3c(C)cccc3C)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-18-8-7-9-19(2)25(18)28-16-22(26-27-28)17-29(23-14-12-21(13-15-23)20(3)30)33(31,32)24-10-5-4-6-11-24/h4-16H,17H2,1-3H3
InChIKeyLWLYGSLQPMLATG-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.48
Rot. Bonds7

About N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide

N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide (PubChem CID 134150296) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide
PubChem CID134150296
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3c(C)cccc3C)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-18-8-7-9-19(2)25(18)28-16-22(26-27-28)17-29(23-14-12-21(13-15-23)20(3)30)33(31,32)24-10-5-4-6-11-24/h4-16H,17H2,1-3H3
InChIKeyLWLYGSLQPMLATG-UHFFFAOYSA-N
XLogP4.48
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide (CID 134150296) is N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide is CC(=O)c1ccc(N(Cc2cn(-c3c(C)cccc3C)nn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is LWLYGSLQPMLATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-18-8-7-9-19(2)25(18)28-16-22(26-27-28)17-29(23-14-12-21(13-15-23)20(3)30)33(31,32)24-10-5-4-6-11-24/h4-16H,17H2,1-3H3.
What are the key properties of N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
N-(4-acetylphenyl)-N-[[1-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 460.56 g/mol, XLogP of 4.48, 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-(2,6-dimethylphenyl)triazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134150296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).