N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide

C8H8F3N5O3S — CID 131950707

IUPACN-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1noc(C(F)(F)F)n1)c1cn[nH]c1
InChIInChI=1S/C8H8F3N5O3S/c9-8(10,11)7-15-6(16-19-7)1-2-14-20(17,18)5-3-12-13-4-5/h3-4,14H,1-2H2,(H,12,13)
InChIKeyVFQCHRQEPYKBMT-UHFFFAOYSA-N
MW311.25 g/mol
LogP0.33
Rot. Bonds5

About N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide

N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131950707) has the molecular formula C8H8F3N5O3S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID131950707
Molecular FormulaC8H8F3N5O3S
Molecular Weight311.25 g/mol
Exact Mass311.03
IUPAC NameN-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1noc(C(F)(F)F)n1)c1cn[nH]c1
InChIInChI=1S/C8H8F3N5O3S/c9-8(10,11)7-15-6(16-19-7)1-2-14-20(17,18)5-3-12-13-4-5/h3-4,14H,1-2H2,(H,12,13)
InChIKeyVFQCHRQEPYKBMT-UHFFFAOYSA-N
XLogP0.33
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide (CID 131950707) is N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCc1noc(C(F)(F)F)n1)c1cn[nH]c1.
What is the InChIKey of N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VFQCHRQEPYKBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O3S/c9-8(10,11)7-15-6(16-19-7)1-2-14-20(17,18)5-3-12-13-4-5/h3-4,14H,1-2H2,(H,12,13).
What are the key properties of N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 311.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131950707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).