4-methyl-N-(2-methylsulfonylphenyl)benzamide

C15H15NO3S — CID 40805420

IUPAC4-methyl-N-(2-methylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C15H15NO3S/c1-11-7-9-12(10-8-11)15(17)16-13-5-3-4-6-14(13)20(2,18)19/h3-10H,1-2H3,(H,16,17)
InChIKeyZAETUEZOBBEKIN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.65
Rot. Bonds3

About 4-methyl-N-(2-methylsulfonylphenyl)benzamide

4-methyl-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 40805420) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfonylphenyl)benzamide
PubChem CID40805420
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-methyl-N-(2-methylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C15H15NO3S/c1-11-7-9-12(10-8-11)15(17)16-13-5-3-4-6-14(13)20(2,18)19/h3-10H,1-2H3,(H,16,17)
InChIKeyZAETUEZOBBEKIN-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75461935
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 61111804
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 154754687

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-methyl-N-(2-methylsulfonylphenyl)benzamide (CID 40805420) is 4-methyl-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is ZAETUEZOBBEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-7-9-12(10-8-11)15(17)16-13-5-3-4-6-14(13)20(2,18)19/h3-10H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-(2-methylsulfonylphenyl)benzamide?
4-methyl-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 40805420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).