2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C12H12F3N5O3S — CID 134023104

IUPAC2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C12H12F3N5O3S/c1-6-3-4-7(24(22,23)16-2)5-8(6)9(21)17-11-18-10(19-20-11)12(13,14)15/h3-5,16H,1-2H3,(H2,17,18,19,20,21)
InChIKeyLFVCFSBYSUJCEU-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 134023104) has the molecular formula C12H12F3N5O3S and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID134023104
Molecular FormulaC12H12F3N5O3S
Molecular Weight363.32 g/mol
Exact Mass363.06
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C12H12F3N5O3S/c1-6-3-4-7(24(22,23)16-2)5-8(6)9(21)17-11-18-10(19-20-11)12(13,14)15/h3-5,16H,1-2H3,(H2,17,18,19,20,21)
InChIKeyLFVCFSBYSUJCEU-UHFFFAOYSA-N
XLogP1.29
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579877
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36580797
3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 36580103
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 43021038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 134023104) is 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is LFVCFSBYSUJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O3S/c1-6-3-4-7(24(22,23)16-2)5-8(6)9(21)17-11-18-10(19-20-11)12(13,14)15/h3-5,16H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 363.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 134023104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).