N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H12F3N3O2S — CID 22931850

IUPACN-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)22(20-15)21-25(23,24)13-9-5-2-6-10-13/h1-11,21H
InChIKeyWQWABEFCSFQBCZ-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.50
Rot. Bonds4

About N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22931850) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22931850
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)22(20-15)21-25(23,24)13-9-5-2-6-10-13/h1-11,21H
InChIKeyWQWABEFCSFQBCZ-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]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-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22931850) is N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is WQWABEFCSFQBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)22(20-15)21-25(23,24)13-9-5-2-6-10-13/h1-11,21H.
What are the key properties of N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22931850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).