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

C8H8F6N4O2S — CID 103311344

IUPAC4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1
InChIInChI=1S/C8H8F6N4O2S/c9-7(10,11)4(8(12,13)14)5-16-17-6(21(15,19)20)18(5)3-1-2-3/h3-4H,1-2H2,(H2,15,19,20)
InChIKeyKHKPEWWIJIUOMF-UHFFFAOYSA-N
MW338.23 g/mol
LogP1.47
Rot. Bonds3

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

4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 103311344) has the molecular formula C8H8F6N4O2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID103311344
Molecular FormulaC8H8F6N4O2S
Molecular Weight338.23 g/mol
Exact Mass338.03
IUPAC Name4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
SMILESNS(=O)(=O)c1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1
InChIInChI=1S/C8H8F6N4O2S/c9-7(10,11)4(8(12,13)14)5-16-17-6(21(15,19)20)18(5)3-1-2-3/h3-4H,1-2H2,(H2,15,19,20)
InChIKeyKHKPEWWIJIUOMF-UHFFFAOYSA-N
XLogP1.47
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide (CID 103311344) is 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide is NS(=O)(=O)c1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is KHKPEWWIJIUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N4O2S/c9-7(10,11)4(8(12,13)14)5-16-17-6(21(15,19)20)18(5)3-1-2-3/h3-4H,1-2H2,(H2,15,19,20).
What are the key properties of 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide?
4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 338.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103311344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).