N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide

C14H14N2O3S — CID 16583790

IUPACN-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C14H14N2O3S/c1-10-3-8-13(15-9-10)16-14(17)11-4-6-12(7-5-11)20(2,18)19/h3-9H,1-2H3,(H,15,16,17)
InChIKeyNTCNJYQADJOLOI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.05
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide

N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide (PubChem CID 16583790) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
PubChem CID16583790
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C14H14N2O3S/c1-10-3-8-13(15-9-10)16-14(17)11-4-6-12(7-5-11)20(2,18)19/h3-9H,1-2H3,(H,15,16,17)
InChIKeyNTCNJYQADJOLOI-UHFFFAOYSA-N
XLogP2.05
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
4-(ethylsulfamoyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 35026598
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
4-[(4-fluorophenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35025590
N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 61292977
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106832
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 51274530
N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
CID 58227030
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide (CID 16583790) is N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
The InChIKey is NTCNJYQADJOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-3-8-13(15-9-10)16-14(17)11-4-6-12(7-5-11)20(2,18)19/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide has a molecular weight of 290.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 16583790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).