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

C8H10F6N4O2S — CID 103311346

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide
SMILESCCCn1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O
InChIInChI=1S/C8H10F6N4O2S/c1-2-3-18-5(16-17-6(18)21(15,19)20)4(7(9,10)11)8(12,13)14/h4H,2-3H2,1H3,(H2,15,19,20)
InChIKeyGWICQGDXZMJAQM-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.54
Rot. Bonds4

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

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide (PubChem CID 103311346) 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-propyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide
PubChem CID103311346
Molecular FormulaC8H10F6N4O2S
Molecular Weight340.25 g/mol
Exact Mass340.04
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide
SMILESCCCn1c(C(C(F)(F)F)C(F)(F)F)nnc1S(N)(=O)=O
InChIInChI=1S/C8H10F6N4O2S/c1-2-3-18-5(16-17-6(18)21(15,19)20)4(7(9,10)11)8(12,13)14/h4H,2-3H2,1H3,(H2,15,19,20)
InChIKeyGWICQGDXZMJAQM-UHFFFAOYSA-N
XLogP1.54
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 103213812
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-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 103213818
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

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide (CID 103311346) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide is CCCn1c(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-propyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is GWICQGDXZMJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N4O2S/c1-2-3-18-5(16-17-6(18)21(15,19)20)4(7(9,10)11)8(12,13)14/h4H,2-3H2,1H3,(H2,15,19,20).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 340.25 g/mol, XLogP of 1.54, 4 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-propyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103311346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).