2-methyl-5-(4-methylsulfonylphenyl)benzamide

C15H15NO3S — CID 142718216

IUPAC2-methyl-5-(4-methylsulfonylphenyl)benzamide
SMILESCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C(N)=O
InChIInChI=1S/C15H15NO3S/c1-10-3-4-12(9-14(10)15(16)17)11-5-7-13(8-6-11)20(2,18)19/h3-9H,1-2H3,(H2,16,17)
InChIKeyMDDULVGDHDBPQD-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-5-(4-methylsulfonylphenyl)benzamide

2-methyl-5-(4-methylsulfonylphenyl)benzamide (PubChem CID 142718216) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfonylphenyl)benzamide
PubChem CID142718216
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-methyl-5-(4-methylsulfonylphenyl)benzamide
SMILESCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C(N)=O
InChIInChI=1S/C15H15NO3S/c1-10-3-4-12(9-14(10)15(16)17)11-5-7-13(8-6-11)20(2,18)19/h3-9H,1-2H3,(H2,16,17)
InChIKeyMDDULVGDHDBPQD-UHFFFAOYSA-N
XLogP2.16
TPSA77.23 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460
2-hydroxy-4-methylsulfonylbenzamide
CID 90873956
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
CID 115902665
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
2-[(3-carbamoyl-4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79264768
ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
CID 143405821
2-methyl-5-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 68604813
ethyl 4-(4-methylsulfonylphenyl)benzoate
CID 122488161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)benzamide (CID 142718216) is 2-methyl-5-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-methyl-5-(4-methylsulfonylphenyl)benzamide is Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(4-methylsulfonylphenyl)benzamide?
The InChIKey is MDDULVGDHDBPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-3-4-12(9-14(10)15(16)17)11-5-7-13(8-6-11)20(2,18)19/h3-9H,1-2H3,(H2,16,17).
What are the key properties of 2-methyl-5-(4-methylsulfonylphenyl)benzamide?
2-methyl-5-(4-methylsulfonylphenyl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 142718216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).