N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide

C21H17F3N2O3S — CID 70663600

IUPACN-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1
InChIInChI=1S/C21H17F3N2O3S/c1-26(19-13-25-9-8-18(19)14-6-4-3-5-7-14)20(27)15-10-16(21(22,23)24)12-17(11-15)30(2,28)29/h3-13H,1-2H3
InChIKeyQFPAGFLJNVYIDG-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.45
Rot. Bonds4

About N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide

N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 70663600) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID70663600
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1
InChIInChI=1S/C21H17F3N2O3S/c1-26(19-13-25-9-8-18(19)14-6-4-3-5-7-14)20(27)15-10-16(21(22,23)24)12-17(11-15)30(2,28)29/h3-13H,1-2H3
InChIKeyQFPAGFLJNVYIDG-UHFFFAOYSA-N
XLogP4.45
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide (CID 70663600) is N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is QFPAGFLJNVYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-26(19-13-25-9-8-18(19)14-6-4-3-5-7-14)20(27)15-10-16(21(22,23)24)12-17(11-15)30(2,28)29/h3-13H,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).