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

C8H10F6N4O2S — CID 103311343

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O
InChIInChI=1S/C8H10F6N4O2S/c1-3(2)18-5(16-17-6(18)21(15,19)20)4(7(9,10)11)8(12,13)14/h3-4H,1-2H3,(H2,15,19,20)
InChIKeyPDQMFPUYTYFGSJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.71
Rot. Bonds3

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

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (PubChem CID 103311343) has the molecular formula C8H10F6N4O2S and a molecular weight of 340.25 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
PubChem CID103311343
Molecular FormulaC8H10F6N4O2S
Molecular Weight340.25 g/mol
Exact Mass340.04
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O
InChIInChI=1S/C8H10F6N4O2S/c1-3(2)18-5(16-17-6(18)21(15,19)20)4(7(9,10)11)8(12,13)14/h3-4H,1-2H3,(H2,15,19,20)
InChIKeyPDQMFPUYTYFGSJ-UHFFFAOYSA-N
XLogP1.71
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (CID 103311343) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is CC(C)n1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The InChIKey is PDQMFPUYTYFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N4O2S/c1-3(2)18-5(16-17-6(18)21(15,19)20)4(7(9,10)11)8(12,13)14/h3-4H,1-2H3,(H2,15,19,20).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide has a molecular weight of 340.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103311343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).