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

C23H21N5O4S — CID 55646181

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C23H21N5O4S/c1-28(17-8-4-3-5-9-17)33(30,31)18-14-12-16(13-15-18)22(29)25-23-24-21(26-27-23)19-10-6-7-11-20(19)32-2/h3-15H,1-2H3,(H2,24,25,26,27,29)
InChIKeyMIZWZMLNZAMNQO-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.56
Rot. Bonds7

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

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 55646181) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID55646181
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C23H21N5O4S/c1-28(17-8-4-3-5-9-17)33(30,31)18-14-12-16(13-15-18)22(29)25-23-24-21(26-27-23)19-10-6-7-11-20(19)32-2/h3-15H,1-2H3,(H2,24,25,26,27,29)
InChIKeyMIZWZMLNZAMNQO-UHFFFAOYSA-N
XLogP3.56
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
4-(2-methoxyphenyl)-N-methyl-N-phenylbenzenesulfonamide
CID 73351058
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 118947360
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 55646181) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is COc1ccccc1-c1nc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is MIZWZMLNZAMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-28(17-8-4-3-5-9-17)33(30,31)18-14-12-16(13-15-18)22(29)25-23-24-21(26-27-23)19-10-6-7-11-20(19)32-2/h3-15H,1-2H3,(H2,24,25,26,27,29).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 463.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55646181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).