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

C24H22N4O3S — CID 134141077

IUPACN-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccc(C)cc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-8-12-22(13-9-18)27-16-21(25-26-27)17-28(23-14-10-20(11-15-23)19(2)29)32(30,31)24-6-4-3-5-7-24/h3-16H,17H2,1-2H3
InChIKeyMVLJXZRIZMUFKQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.17
Rot. Bonds7

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

N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide (PubChem CID 134141077) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide
PubChem CID134141077
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccc(C)cc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-8-12-22(13-9-18)27-16-21(25-26-27)17-28(23-14-10-20(11-15-23)19(2)29)32(30,31)24-6-4-3-5-7-24/h3-16H,17H2,1-2H3
InChIKeyMVLJXZRIZMUFKQ-UHFFFAOYSA-N
XLogP4.17
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.17
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-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide (CID 134141077) is N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide is CC(=O)c1ccc(N(Cc2cn(-c3ccc(C)cc3)nn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is MVLJXZRIZMUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-18-8-12-22(13-9-18)27-16-21(25-26-27)17-28(23-14-10-20(11-15-23)19(2)29)32(30,31)24-6-4-3-5-7-24/h3-16H,17H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 4.17, 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-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134141077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).