N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C11H11F3N4O2S2 — CID 74225710

IUPACN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCSc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1C
InChIInChI=1S/C11H11F3N4O2S2/c1-18-10(21-2)15-9(16-18)17-22(19,20)8-5-3-4-7(6-8)11(12,13)14/h3-6H,1-2H3,(H,16,17)
InChIKeyVQKNRYIDKOBLOI-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.36
Rot. Bonds4

About N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 74225710) has the molecular formula C11H11F3N4O2S2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID74225710
Molecular FormulaC11H11F3N4O2S2
Molecular Weight352.36 g/mol
Exact Mass352.03
IUPAC NameN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCSc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1C
InChIInChI=1S/C11H11F3N4O2S2/c1-18-10(21-2)15-9(16-18)17-22(19,20)8-5-3-4-7(6-8)11(12,13)14/h3-6H,1-2H3,(H,16,17)
InChIKeyVQKNRYIDKOBLOI-UHFFFAOYSA-N
XLogP2.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~3~,N~3~,N~5~,N~5~-tetramethyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-1,2,4-triazole-3,5-diamine
CID 1488378
N1-[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]-2,4-difluorobenzene-1-sulfonamide
CID 2805442
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2805441
3-(benzylthio)-1-((4-fluorophenyl)sulfonyl)-5-amino-1H-1,2,4-triazole
CID 146020316
3-(benzylthio)-1-((5-fluoro-2-methylphenyl)sulfonyl)-5-amino-1H-1,2,4-triazole
CID 146020323
2-methyl-N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 72108904
N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide
CID 22401448
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3870708
5-fluoro-2-methyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 4339926
N-(1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4521037
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 5159135
2-(Benzenesulfonyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 10273211

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 74225710) is N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is CSc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1C.
What is the InChIKey of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VQKNRYIDKOBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S2/c1-18-10(21-2)15-9(16-18)17-22(19,20)8-5-3-4-7(6-8)11(12,13)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 74225710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).