N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

C17H12F4N4O3S — CID 2808253

IUPACN'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H12F4N4O3S/c18-11-6-8-13(9-7-11)29(27,28)24-23-16(26)14-10-22-25(15(14)17(19,20)21)12-4-2-1-3-5-12/h1-10,24H,(H,23,26)
InChIKeyWFYRERTYHADIFT-UHFFFAOYSA-N
MW428.37 g/mol
LogP2.65
Rot. Bonds5

About N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 2808253) has the molecular formula C17H12F4N4O3S and a molecular weight of 428.37 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID2808253
Molecular FormulaC17H12F4N4O3S
Molecular Weight428.37 g/mol
Exact Mass428.06
IUPAC NameN'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H12F4N4O3S/c18-11-6-8-13(9-7-11)29(27,28)24-23-16(26)14-10-22-25(15(14)17(19,20)21)12-4-2-1-3-5-12/h1-10,24H,(H,23,26)
InChIKeyWFYRERTYHADIFT-UHFFFAOYSA-N
XLogP2.65
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide 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'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 2808253) is N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is WFYRERTYHADIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O3S/c18-11-6-8-13(9-7-11)29(27,28)24-23-16(26)14-10-22-25(15(14)17(19,20)21)12-4-2-1-3-5-12/h1-10,24H,(H,23,26).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 428.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 2808253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).