N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C21H16ClF3N2O4S — CID 24742160

IUPACN-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c(Cl)c1
InChIInChI=1S/C21H16ClF3N2O4S/c1-32(29,30)17-7-5-14(18(22)10-17)11-27-20(28)15-6-8-19(26-12-15)13-3-2-4-16(9-13)31-21(23,24)25/h2-10,12H,11H2,1H3,(H,27,28)
InChIKeyRJAKICMXWLZKJQ-UHFFFAOYSA-N
MW484.88 g/mol
LogP4.63
Rot. Bonds6

About N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 24742160) has the molecular formula C21H16ClF3N2O4S and a molecular weight of 484.88 g/mol. Its IUPAC name is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID24742160
Molecular FormulaC21H16ClF3N2O4S
Molecular Weight484.88 g/mol
Exact Mass484.05
IUPAC NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c(Cl)c1
InChIInChI=1S/C21H16ClF3N2O4S/c1-32(29,30)17-7-5-14(18(22)10-17)11-27-20(28)15-6-8-19(26-12-15)13-3-2-4-16(9-13)31-21(23,24)25/h2-10,12H,11H2,1H3,(H,27,28)
InChIKeyRJAKICMXWLZKJQ-UHFFFAOYSA-N
XLogP4.63
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.88
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 24742160) is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is RJAKICMXWLZKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O4S/c1-32(29,30)17-7-5-14(18(22)10-17)11-27-20(28)15-6-8-19(26-12-15)13-3-2-4-16(9-13)31-21(23,24)25/h2-10,12H,11H2,1H3,(H,27,28).
What are the key properties of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 484.88 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 24742160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).