N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide

C15H11F3N4O4S2 — CID 90285806

IUPACN-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O4S2/c16-15(17,18)27(23,24)11-4-6-12(7-5-11)28(25,26)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
InChIKeySOKMIORTCZJPRP-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.36
Rot. Bonds5

About N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 90285806) has the molecular formula C15H11F3N4O4S2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID90285806
Molecular FormulaC15H11F3N4O4S2
Molecular Weight432.41 g/mol
Exact Mass432.02
IUPAC NameN-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O4S2/c16-15(17,18)27(23,24)11-4-6-12(7-5-11)28(25,26)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H
InChIKeySOKMIORTCZJPRP-UHFFFAOYSA-N
XLogP2.36
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)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-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide (CID 90285806) is N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is SOKMIORTCZJPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O4S2/c16-15(17,18)27(23,24)11-4-6-12(7-5-11)28(25,26)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H.
What are the key properties of N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide?
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 432.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 90285806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).