4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide

C7H8F6N4O2S — CID 103311345

IUPAC4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O
InChIInChI=1S/C7H8F6N4O2S/c1-2-17-4(15-16-5(17)20(14,18)19)3(6(8,9)10)7(11,12)13/h3H,2H2,1H3,(H2,14,18,19)
InChIKeyFNKVGDINQHOVKL-UHFFFAOYSA-N
MW326.22 g/mol
LogP1.15
Rot. Bonds3

About 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide

4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 103311345) has the molecular formula C7H8F6N4O2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID103311345
Molecular FormulaC7H8F6N4O2S
Molecular Weight326.22 g/mol
Exact Mass326.03
IUPAC Name4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O
InChIInChI=1S/C7H8F6N4O2S/c1-2-17-4(15-16-5(17)20(14,18)19)3(6(8,9)10)7(11,12)13/h3H,2H2,1H3,(H2,14,18,19)
InChIKeyFNKVGDINQHOVKL-UHFFFAOYSA-N
XLogP1.15
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide 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

Sodium;4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate
CID 23720354
4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103213813
5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 103213828
4-Ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213830
5-[2-(2,2-Difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole-3-sulfonamide
CID 103213831
4-Propyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213833
5-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,2,4-triazole-3-sulfonamide
CID 103213839
4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213841
5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide
CID 103213843
4-(2-Methylpropyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole-3-sulfonamide
CID 103213844
4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-sulfonamide
CID 103213845
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 103311338

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide (CID 103311345) is 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide is CCn1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is FNKVGDINQHOVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N4O2S/c1-2-17-4(15-16-5(17)20(14,18)19)3(6(8,9)10)7(11,12)13/h3H,2H2,1H3,(H2,14,18,19).
What are the key properties of 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 326.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103311345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).