2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide

C16H17NO3S — CID 9341567

IUPAC2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C16H17NO3S/c1-11-5-4-6-13(9-11)17-16(18)15-10-14(21(3,19)20)8-7-12(15)2/h4-10H,1-3H3,(H,17,18)
InChIKeyJRXNUOHNNJTPCN-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide

2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide (PubChem CID 9341567) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
PubChem CID9341567
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C16H17NO3S/c1-11-5-4-6-13(9-11)17-16(18)15-10-14(21(3,19)20)8-7-12(15)2/h4-10H,1-3H3,(H,17,18)
InChIKeyJRXNUOHNNJTPCN-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

2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide (CID 9341567) is 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide is Cc1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide?
The InChIKey is JRXNUOHNNJTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-5-4-6-13(9-11)17-16(18)15-10-14(21(3,19)20)8-7-12(15)2/h4-10H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide?
2-methyl-N-(3-methylphenyl)-5-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 2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 9341567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).