2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

C14H14N2O3S — CID 4670957

IUPAC2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)13-7-3-2-6-12(13)14(17)16-10-11-5-4-8-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMLFLNUOEZMMIHB-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.42
Rot. Bonds4

About 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4670957) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4670957
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)13-7-3-2-6-12(13)14(17)16-10-11-5-4-8-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMLFLNUOEZMMIHB-UHFFFAOYSA-N
XLogP1.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 4670957) is 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is CS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MLFLNUOEZMMIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20(18,19)13-7-3-2-6-12(13)14(17)16-10-11-5-4-8-15-9-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 290.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 4670957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).