2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

C9H8F2N4O2S — CID 79028842

IUPAC2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C9H8F2N4O2S/c1-5-12-9(14-13-5)15-18(16,17)8-4-6(10)2-3-7(8)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyXNCLJJSTSNANTJ-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.19
Rot. Bonds3

About 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 79028842) has the molecular formula C9H8F2N4O2S and a molecular weight of 274.25 g/mol. Its IUPAC name is 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID79028842
Molecular FormulaC9H8F2N4O2S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC Name2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C9H8F2N4O2S/c1-5-12-9(14-13-5)15-18(16,17)8-4-6(10)2-3-7(8)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyXNCLJJSTSNANTJ-UHFFFAOYSA-N
XLogP1.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028844
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028876
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 79028887
4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79027360
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzenesulfonamide
CID 79028865
2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 167947878
N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22209239
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CID 79028842) is 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(F)ccc2F)n[nH]1.
What is the InChIKey of 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is XNCLJJSTSNANTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S/c1-5-12-9(14-13-5)15-18(16,17)8-4-6(10)2-3-7(8)11/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 274.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 79028842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).