2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

C24H23N5O3S — CID 55982879

IUPAC2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4C)ccc3C)c2)n[nH]1
InChIInChI=1S/C24H23N5O3S/c1-15-11-12-20(33(31,32)29-22-10-5-4-7-16(22)2)14-21(15)24(30)26-19-9-6-8-18(13-19)23-25-17(3)27-28-23/h4-14,29H,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyARVUOKMHCHXYFU-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.45
Rot. Bonds6

About 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 55982879) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID55982879
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4C)ccc3C)c2)n[nH]1
InChIInChI=1S/C24H23N5O3S/c1-15-11-12-20(33(31,32)29-22-10-5-4-7-16(22)2)14-21(15)24(30)26-19-9-6-8-18(13-19)23-25-17(3)27-28-23/h4-14,29H,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyARVUOKMHCHXYFU-UHFFFAOYSA-N
XLogP4.45
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
CID 49424419
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52669079
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55465626
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55869339
3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 131913057
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (CID 55982879) is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is Cc1nc(-c2cccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4C)ccc3C)c2)n[nH]1.
What is the InChIKey of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is ARVUOKMHCHXYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-15-11-12-20(33(31,32)29-22-10-5-4-7-16(22)2)14-21(15)24(30)26-19-9-6-8-18(13-19)23-25-17(3)27-28-23/h4-14,29H,1-3H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 55982879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).