N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C21H16F4N2O4S — CID 24742567

IUPACN-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H16F4N2O4S/c1-32(29,30)19-9-17(22)5-2-14(19)12-27-20(28)16-8-15(10-26-11-16)13-3-6-18(7-4-13)31-21(23,24)25/h2-11H,12H2,1H3,(H,27,28)
InChIKeyVJJNVAHIIJTOKB-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.12
Rot. Bonds6

About N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 24742567) has the molecular formula C21H16F4N2O4S and a molecular weight of 468.43 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID24742567
Molecular FormulaC21H16F4N2O4S
Molecular Weight468.43 g/mol
Exact Mass468.08
IUPAC NameN-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H16F4N2O4S/c1-32(29,30)19-9-17(22)5-2-14(19)12-27-20(28)16-8-15(10-26-11-16)13-3-6-18(7-4-13)31-21(23,24)25/h2-11H,12H2,1H3,(H,27,28)
InChIKeyVJJNVAHIIJTOKB-UHFFFAOYSA-N
XLogP4.12
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475063
N-methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carboxamide
CID 46225114
N-ethyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carboxamide
CID 46225115
N-(2-(methylsulfonyl)benzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487825
N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 45487846
5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(4-methoxybenzyl)nicotinamide
CID 46888059
5-(Aminosulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,5,6-tetrafluorophenyl)thio]nicotinamide
CID 46888095
(7S)-6-[[4-(difluoromethoxy)phenyl]methyl]-N-[(4-ethylsulfonylphenyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282298
N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide
CID 46897731
2-(4-fluoro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151900828
N-(2-pyridin-3-ylethyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylbenzamide
CID 56929627
5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46032993

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 24742567) is N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is VJJNVAHIIJTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O4S/c1-32(29,30)19-9-17(22)5-2-14(19)12-27-20(28)16-8-15(10-26-11-16)13-3-6-18(7-4-13)31-21(23,24)25/h2-11H,12H2,1H3,(H,27,28).
What are the key properties of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 468.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 24742567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).