2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C17H17N5O3S — CID 55909075

IUPAC2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C17H17N5O3S/c1-12-3-8-15(26(24,25)18-2)9-16(12)17(23)21-13-4-6-14(7-5-13)22-11-19-10-20-22/h3-11,18H,1-2H3,(H,21,23)
InChIKeyAGZVQNMTEKGQCK-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55909075) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55909075
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C17H17N5O3S/c1-12-3-8-15(26(24,25)18-2)9-16(12)17(23)21-13-4-6-14(7-5-13)22-11-19-10-20-22/h3-11,18H,1-2H3,(H,21,23)
InChIKeyAGZVQNMTEKGQCK-UHFFFAOYSA-N
XLogP1.74
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 166183100
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 35708143
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
4-(methylsulfamoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51221629
2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide
CID 166215814
2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide
CID 51134168
5-(tert-butylsulfamoyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbenzamide
CID 55610005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55909075) is 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is AGZVQNMTEKGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-12-3-8-15(26(24,25)18-2)9-16(12)17(23)21-13-4-6-14(7-5-13)22-11-19-10-20-22/h3-11,18H,1-2H3,(H,21,23).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55909075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).