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

C20H16ClFN2O3S — CID 24742659

IUPACN-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1
InChIInChI=1S/C20H16ClFN2O3S/c1-28(26,27)17-8-4-14(18(21)10-17)11-24-20(25)15-5-9-19(23-12-15)13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,24,25)
InChIKeyJCQPLQUEZDTRQW-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.87
Rot. Bonds5

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

N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 24742659) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID24742659
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1
InChIInChI=1S/C20H16ClFN2O3S/c1-28(26,27)17-8-4-14(18(21)10-17)11-24-20(25)15-5-9-19(23-12-15)13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,24,25)
InChIKeyJCQPLQUEZDTRQW-UHFFFAOYSA-N
XLogP3.87
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide (CID 24742659) is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is JCQPLQUEZDTRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c1-28(26,27)17-8-4-14(18(21)10-17)11-24-20(25)15-5-9-19(23-12-15)13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,24,25).
What are the key properties of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24742659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).