N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

C17H11F6N3O2S — CID 22415550

IUPACN-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H11F6N3O2S/c18-16(19,20)12-8-6-11(7-9-12)14-10-15(17(21,22)23)24-26(14)25-29(27,28)13-4-2-1-3-5-13/h1-10,25H
InChIKeyOAOSWMLTDVZPGB-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.52
Rot. Bonds4

About N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 22415550) has the molecular formula C17H11F6N3O2S and a molecular weight of 435.35 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID22415550
Molecular FormulaC17H11F6N3O2S
Molecular Weight435.35 g/mol
Exact Mass435.05
IUPAC NameN-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H11F6N3O2S/c18-16(19,20)12-8-6-11(7-9-12)14-10-15(17(21,22)23)24-26(14)25-29(27,28)13-4-2-1-3-5-13/h1-10,25H
InChIKeyOAOSWMLTDVZPGB-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (CID 22415550) is N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OAOSWMLTDVZPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O2S/c18-16(19,20)12-8-6-11(7-9-12)14-10-15(17(21,22)23)24-26(14)25-29(27,28)13-4-2-1-3-5-13/h1-10,25H.
What are the key properties of N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 435.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22415550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).