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

C12H12F3N5O3S — CID 2381572

IUPAC3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C12H12F3N5O3S/c1-20(2)24(22,23)8-5-3-4-7(6-8)9(21)16-11-17-10(18-19-11)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19,21)
InChIKeyUAPGKKDWTVYFKD-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.33
Rot. Bonds4

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

3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 2381572) has the molecular formula C12H12F3N5O3S and a molecular weight of 363.32 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID2381572
Molecular FormulaC12H12F3N5O3S
Molecular Weight363.32 g/mol
Exact Mass363.06
IUPAC Name3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C12H12F3N5O3S/c1-20(2)24(22,23)8-5-3-4-7(6-8)9(21)16-11-17-10(18-19-11)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19,21)
InChIKeyUAPGKKDWTVYFKD-UHFFFAOYSA-N
XLogP1.33
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579877
3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 43021038
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 134023104
1-methylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 36580021
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 2381572) is 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is UAPGKKDWTVYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O3S/c1-20(2)24(22,23)8-5-3-4-7(6-8)9(21)16-11-17-10(18-19-11)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19,21).
What are the key properties of 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 363.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 2381572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).