N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide

C12H12F3N3O2S — CID 115695455

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C12H12F3N3O2S/c1-2-8-7-11(17-16-8)18-21(19,20)10-6-4-3-5-9(10)12(13,14)15/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyCHQFSZHODNHODE-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.79
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 115695455) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID115695455
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C12H12F3N3O2S/c1-2-8-7-11(17-16-8)18-21(19,20)10-6-4-3-5-9(10)12(13,14)15/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyCHQFSZHODNHODE-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide 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-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 115695455) is N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CHQFSZHODNHODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-2-8-7-11(17-16-8)18-21(19,20)10-6-4-3-5-9(10)12(13,14)15/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115695455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).