N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C21H18F3N3O3S — CID 59673014

IUPACN-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)nc1
InChIInChI=1S/C21H18F3N3O3S/c1-13(2)31(29,30)16-9-10-18(26-12-16)27-20(28)15-7-5-14(6-8-15)19-17(21(22,23)24)4-3-11-25-19/h3-13H,1-2H3,(H,26,27,28)
InChIKeyPFOXDKGNRREUFY-UHFFFAOYSA-N
MW449.45 g/mol
LogP4.60
Rot. Bonds5

About N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673014) has the molecular formula C21H18F3N3O3S and a molecular weight of 449.45 g/mol. Its IUPAC name is N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673014
Molecular FormulaC21H18F3N3O3S
Molecular Weight449.45 g/mol
Exact Mass449.10
IUPAC NameN-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)nc1
InChIInChI=1S/C21H18F3N3O3S/c1-13(2)31(29,30)16-9-10-18(26-12-16)27-20(28)15-7-5-14(6-8-15)19-17(21(22,23)24)4-3-11-25-19/h3-13H,1-2H3,(H,26,27,28)
InChIKeyPFOXDKGNRREUFY-UHFFFAOYSA-N
XLogP4.60
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide 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-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673014) is N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is PFOXDKGNRREUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3S/c1-13(2)31(29,30)16-9-10-18(26-12-16)27-20(28)15-7-5-14(6-8-15)19-17(21(22,23)24)4-3-11-25-19/h3-13H,1-2H3,(H,26,27,28).
What are the key properties of N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 449.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylsulfonyl-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).