2-Methyl-N-tosylbenzamide

HCID 972691

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Basic information

CAS: 146448-53-5
Standard SMILES: Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2C)cc1
InChIKey: LVGOSRSGAWSLMB-UHFFFAOYSA-N
Molecular formula: C15H15NO3S
Average molar mass: 289.4 g/mol
Monoisotopic mass: 289.07726451

Names & identifiers

Preferred name: 2-Methyl-N-tosylbenzamide
IUPAC: 2-methyl-N-(4-methylphenyl)sulfonylbenzamide
English name: 4-Methyl-N-(2-methyl-benzoyl)-benzenesulfonamide
Molecular formula: C15H15NO3S
Molecular weight: 289.35

Names & synonyms

2-Methyl-N-tosylbenzamide146448-53-52-methyl-N-(4-methylphenyl)sulfonylbenzamide2-methyl-N-(4-methylbenzenesulfonyl)benzamideMLS001123884SCHEMBL19288984-METHYL-N-(2-METHYL-BENZOYL)-BENZENESULFONAMIDECHEMBL1387507SCHEMBL30514016DTXSID10359576HMS2977F064-Methyl-N-(2-methyl-benzoyl)-

Show more names

Benzamide, 2-methyl-N-[(4-methylphenyl)sulfonyl]-

AKOS002192979HS-4212SMR0006685404-Methyl-N-(2-methylbenzoyl)benzenesulfonamide2-Methyl-N-[(4-methylphenyl)sulfonyl]benzamide4-Methyl-N-(2-methyl-benzoyl)benzenesulfonamide2-Methyl-N-(4-methylbenzene-1-sulfonyl)benzamideSR-01000280808

Database identifiers

CAS: 146448-53-5
PubChem CID: 972691
DTXSID: DTXSID10359576
ChEMBL: CHEMBL1387507
Nikkaji: J570.097C

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 433

Experimental & physicochemical properties

Solubility>43.4 [ug/mL] (The mean of the results at pH 7.4)

Chemistry & industry

Applications · 1 item

Uses2-Methyl-N-[(4-methylphenyl)sulfonyl]benzamide is an intermediate in synthesizing 1,7-Dimethylfluorene (D465730), a product of the selenium dehydrogenation of gibberic acid. 1,7-Dimethylfluorene is also one of the many polyaromatic hydrocarbons (PAH) that are found within lake sediments, negatively impacting zoo plankton changes in the water, as well as the ecosystems that reside there.