5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide

C14H13ClN2O3S — CID 71973123

IUPAC5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)cn1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H13ClN2O3S/c1-17(14(18)11-8-7-10(15)9-16-11)12-5-3-4-6-13(12)21(2,19)20/h3-9H,1-2H3
InChIKeyORTGSFSZXOPNGD-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.42
Rot. Bonds3

About 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide

5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 71973123) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID71973123
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)cn1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H13ClN2O3S/c1-17(14(18)11-8-7-10(15)9-16-11)12-5-3-4-6-13(12)21(2,19)20/h3-9H,1-2H3
InChIKeyORTGSFSZXOPNGD-UHFFFAOYSA-N
XLogP2.42
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide (CID 71973123) is 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide is CN(C(=O)c1ccc(Cl)cn1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is ORTGSFSZXOPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-17(14(18)11-8-7-10(15)9-16-11)12-5-3-4-6-13(12)21(2,19)20/h3-9H,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 71973123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).