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

C23H21N5O3S — CID 78861771

IUPAC2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C23H21N5O3S/c1-27-16-24-26-22(27)17-9-8-10-18(15-17)25-23(29)20-13-6-7-14-21(20)32(30,31)28(2)19-11-4-3-5-12-19/h3-16H,1-2H3,(H,25,29)
InChIKeyOWWZARKRDGLBPA-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.56
Rot. Bonds6

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

2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 78861771) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID78861771
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C23H21N5O3S/c1-27-16-24-26-22(27)17-9-8-10-18(15-17)25-23(29)20-13-6-7-14-21(20)32(30,31)28(2)19-11-4-3-5-12-19/h3-16H,1-2H3,(H,25,29)
InChIKeyOWWZARKRDGLBPA-UHFFFAOYSA-N
XLogP3.56
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 75401167
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78861764
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 136577197
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 46431770
4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39034668
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-ynamide
CID 122137616
2-tert-butyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579100
N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen
CID 170976899
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 78861771) is 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is OWWZARKRDGLBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-27-16-24-26-22(27)17-9-8-10-18(15-17)25-23(29)20-13-6-7-14-21(20)32(30,31)28(2)19-11-4-3-5-12-19/h3-16H,1-2H3,(H,25,29).
What are the key properties of 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 447.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 78861771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).