N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C8H12F3N3O2S — CID 47268216

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12F3N3O2S/c1-2-3-14(6-8(9,10)11)17(15,16)7-4-12-13-5-7/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyKDMNFSINHLOQOJ-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.37
Rot. Bonds5

About N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47268216) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47268216
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12F3N3O2S/c1-2-3-14(6-8(9,10)11)17(15,16)7-4-12-13-5-7/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyKDMNFSINHLOQOJ-UHFFFAOYSA-N
XLogP1.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-N-(2,2,2-trifluoroethyl)-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-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 47268216) is N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KDMNFSINHLOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-2-3-14(6-8(9,10)11)17(15,16)7-4-12-13-5-7/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).