N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide

C16H17NO3S — CID 14500553

IUPACN-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO3S/c1-11-5-4-6-12(2)15(11)17-16(18)13-7-9-14(10-8-13)21(3,19)20/h4-10H,1-3H3,(H,17,18)
InChIKeyPPZODWLUXKFPAR-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.96
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide

N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide (PubChem CID 14500553) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
PubChem CID14500553
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H17NO3S/c1-11-5-4-6-12(2)15(11)17-16(18)13-7-9-14(10-8-13)21(3,19)20/h4-10H,1-3H3,(H,17,18)
InChIKeyPPZODWLUXKFPAR-UHFFFAOYSA-N
XLogP2.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
CID 164511155
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180
N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
CID 69091103

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide (CID 14500553) is N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide is Cc1cccc(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is PPZODWLUXKFPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-5-4-6-12(2)15(11)17-16(18)13-7-9-14(10-8-13)21(3,19)20/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide?
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 14500553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).