3-methyl-N-(3-methylsulfonylphenyl)benzamide

C15H15NO3S — CID 17416178

IUPAC3-methyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H15NO3S/c1-11-5-3-6-12(9-11)15(17)16-13-7-4-8-14(10-13)20(2,18)19/h3-10H,1-2H3,(H,16,17)
InChIKeyZOYJOQJYHNVQSP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.65
Rot. Bonds3

About 3-methyl-N-(3-methylsulfonylphenyl)benzamide

3-methyl-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 17416178) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfonylphenyl)benzamide
PubChem CID17416178
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-methyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H15NO3S/c1-11-5-3-6-12(9-11)15(17)16-13-7-4-8-14(10-13)20(2,18)19/h3-10H,1-2H3,(H,16,17)
InChIKeyZOYJOQJYHNVQSP-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

3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-methyl-N-(3-methylsulfonylphenyl)benzamide (CID 17416178) is 3-methyl-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfonylphenyl)benzamide is Cc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 3-methyl-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is ZOYJOQJYHNVQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-5-3-6-12(9-11)15(17)16-13-7-4-8-14(10-13)20(2,18)19/h3-10H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(3-methylsulfonylphenyl)benzamide?
3-methyl-N-(3-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 3-methyl-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 17416178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).