N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide

C9H8F2N4O2S — CID 19872296

IUPACN-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2c(F)cccc2F)n[nH]1
InChIInChI=1S/C9H8F2N4O2S/c1-5-12-9(14-13-5)18(16,17)15-8-6(10)3-2-4-7(8)11/h2-4,15H,1H3,(H,12,13,14)
InChIKeyUQTKVEDFIQMAMX-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.19
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide

N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide (PubChem CID 19872296) has the molecular formula C9H8F2N4O2S and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide
PubChem CID19872296
Molecular FormulaC9H8F2N4O2S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC NameN-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2c(F)cccc2F)n[nH]1
InChIInChI=1S/C9H8F2N4O2S/c1-5-12-9(14-13-5)18(16,17)15-8-6(10)3-2-4-7(8)11/h2-4,15H,1H3,(H,12,13,14)
InChIKeyUQTKVEDFIQMAMX-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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide (CID 19872296) is N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide is Cc1nc(S(=O)(=O)Nc2c(F)cccc2F)n[nH]1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide?
The InChIKey is UQTKVEDFIQMAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S/c1-5-12-9(14-13-5)18(16,17)15-8-6(10)3-2-4-7(8)11/h2-4,15H,1H3,(H,12,13,14).
What are the key properties of N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide?
N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide 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 N-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 19872296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).