4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide

C14H14N2O3S — CID 47037064

IUPAC4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-10-3-5-11(6-4-10)14(17)16-12-7-8-13(15-9-12)20(2,18)19/h3-9H,1-2H3,(H,16,17)
InChIKeyGMCNDTAFEUADMS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.05
Rot. Bonds3

About 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide

4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide (PubChem CID 47037064) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
PubChem CID47037064
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-10-3-5-11(6-4-10)14(17)16-12-7-8-13(15-9-12)20(2,18)19/h3-9H,1-2H3,(H,16,17)
InChIKeyGMCNDTAFEUADMS-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

4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 63213093
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The IUPAC name of 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide (CID 47037064) is 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide is Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1.
What is the InChIKey of 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The InChIKey is GMCNDTAFEUADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-3-5-11(6-4-10)14(17)16-12-7-8-13(15-9-12)20(2,18)19/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide 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 4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide is sourced from PubChem (CID 47037064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).