5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

C11H9F3N4O3S — CID 169403044

IUPAC5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C11H9F3N4O3S/c1-22(20,21)7-3-2-5(11(12,13)14)4-6(7)8-9(10(15)19)17-18-16-8/h2-4H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyTZDHVQJWEHWDMV-UHFFFAOYSA-N
MW334.28 g/mol
LogP0.99
Rot. Bonds3

About 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403044) has the molecular formula C11H9F3N4O3S and a molecular weight of 334.28 g/mol. Its IUPAC name is 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169403044
Molecular FormulaC11H9F3N4O3S
Molecular Weight334.28 g/mol
Exact Mass334.03
IUPAC Name5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C11H9F3N4O3S/c1-22(20,21)7-3-2-5(11(12,13)14)4-6(7)8-9(10(15)19)17-18-16-8/h2-4H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyTZDHVQJWEHWDMV-UHFFFAOYSA-N
XLogP0.99
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402175
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
CID 169403087
5-[2-bromo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404858
5-[2-iodo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404458
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
ethyl 5-[2,4-bis(methylsulfonyl)phenyl]-2H-triazole-4-carboxylate
CID 169401483
3-ethoxy-5-methylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 175931774

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (CID 169403044) is 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is CS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is TZDHVQJWEHWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S/c1-22(20,21)7-3-2-5(11(12,13)14)4-6(7)8-9(10(15)19)17-18-16-8/h2-4H,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 334.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).