4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide

C19H14ClFN2O3S — CID 21476789

IUPAC4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncc(C(N)=O)c2Cl)cc1
InChIInChI=1S/C19H14ClFN2O3S/c1-27(25,26)14-8-4-11(5-9-14)16-17(20)15(19(22)24)10-23-18(16)12-2-6-13(21)7-3-12/h2-10H,1H3,(H2,22,24)
InChIKeySDHBBAXFJJPSNJ-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide

4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 21476789) has the molecular formula C19H14ClFN2O3S and a molecular weight of 404.85 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID21476789
Molecular FormulaC19H14ClFN2O3S
Molecular Weight404.85 g/mol
Exact Mass404.04
IUPAC Name4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncc(C(N)=O)c2Cl)cc1
InChIInChI=1S/C19H14ClFN2O3S/c1-27(25,26)14-8-4-11(5-9-14)16-17(20)15(19(22)24)10-23-18(16)12-2-6-13(21)7-3-12/h2-10H,1H3,(H2,22,24)
InChIKeySDHBBAXFJJPSNJ-UHFFFAOYSA-N
XLogP3.71
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide (CID 21476789) is 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide is CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncc(C(N)=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is SDHBBAXFJJPSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3S/c1-27(25,26)14-8-4-11(5-9-14)16-17(20)15(19(22)24)10-23-18(16)12-2-6-13(21)7-3-12/h2-10H,1H3,(H2,22,24).
What are the key properties of 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 21476789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).