N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide

C13H9F3N4O2S — CID 91629176

IUPACN-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc2ccnn2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N4O2S/c14-13(15,16)9-1-3-11(4-2-9)23(21,22)19-10-7-17-12-5-6-18-20(12)8-10/h1-8,19H
InChIKeyUVSITUNBEUTYAH-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.55
Rot. Bonds3

About N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide

N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 91629176) has the molecular formula C13H9F3N4O2S and a molecular weight of 342.30 g/mol. Its IUPAC name is N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID91629176
Molecular FormulaC13H9F3N4O2S
Molecular Weight342.30 g/mol
Exact Mass342.04
IUPAC NameN-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc2ccnn2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N4O2S/c14-13(15,16)9-1-3-11(4-2-9)23(21,22)19-10-7-17-12-5-6-18-20(12)8-10/h1-8,19H
InChIKeyUVSITUNBEUTYAH-UHFFFAOYSA-N
XLogP2.55
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(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-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide (CID 91629176) is N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnc2ccnn2c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UVSITUNBEUTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2S/c14-13(15,16)9-1-3-11(4-2-9)23(21,22)19-10-7-17-12-5-6-18-20(12)8-10/h1-8,19H.
What are the key properties of N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide?
N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazolo[1,5-a]pyrimidin-6-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91629176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).