N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

C12H11F3N4O3S — CID 71878913

IUPACN-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)c1nc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C12H11F3N4O3S/c1-23(21,22)11-17-10(18-19-11)16-9(20)6-7-4-2-3-5-8(7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyVDMQIMQGUVKYFU-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.41
Rot. Bonds4

About N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 71878913) has the molecular formula C12H11F3N4O3S and a molecular weight of 348.31 g/mol. Its IUPAC name is N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID71878913
Molecular FormulaC12H11F3N4O3S
Molecular Weight348.31 g/mol
Exact Mass348.05
IUPAC NameN-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)c1nc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C12H11F3N4O3S/c1-23(21,22)11-17-10(18-19-11)16-9(20)6-7-4-2-3-5-8(7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyVDMQIMQGUVKYFU-UHFFFAOYSA-N
XLogP1.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 122141341
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 79028887
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]thiourea
CID 90874503
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 86065127
N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 71878913) is N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)c1nc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VDMQIMQGUVKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3S/c1-23(21,22)11-17-10(18-19-11)16-9(20)6-7-4-2-3-5-8(7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 348.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71878913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).