N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

C20H13F6N3O4S — CID 25260963

IUPACN-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C20H13F6N3O4S/c1-34(31,32)14-7-12(8-27-10-14)29-18(30)15-4-2-11(19(21,22)23)6-16(15)33-13-3-5-17(28-9-13)20(24,25)26/h2-10H,1H3,(H,29,30)
InChIKeyCGIUTNLZSKLRNW-UHFFFAOYSA-N
MW505.40 g/mol
LogP4.96
Rot. Bonds5

About N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 25260963) has the molecular formula C20H13F6N3O4S and a molecular weight of 505.40 g/mol. Its IUPAC name is N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID25260963
Molecular FormulaC20H13F6N3O4S
Molecular Weight505.40 g/mol
Exact Mass505.05
IUPAC NameN-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C20H13F6N3O4S/c1-34(31,32)14-7-12(8-27-10-14)29-18(30)15-4-2-11(19(21,22)23)6-16(15)33-13-3-5-17(28-9-13)20(24,25)26/h2-10H,1H3,(H,29,30)
InChIKeyCGIUTNLZSKLRNW-UHFFFAOYSA-N
XLogP4.96
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]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-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 25260963) is N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is CGIUTNLZSKLRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O4S/c1-34(31,32)14-7-12(8-27-10-14)29-18(30)15-4-2-11(19(21,22)23)6-16(15)33-13-3-5-17(28-9-13)20(24,25)26/h2-10H,1H3,(H,29,30).
What are the key properties of N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 505.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 25260963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).