2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide

C16H18N2O3S — CID 51297733

IUPAC2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H18N2O3S/c1-11-5-4-6-13(9-11)18-16(19)15-10-14(8-7-12(15)2)22(20,21)17-3/h4-10,17H,1-3H3,(H,18,19)
InChIKeyRUNJJSVANPMVAQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.46
Rot. Bonds4

About 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide

2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide (PubChem CID 51297733) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
PubChem CID51297733
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H18N2O3S/c1-11-5-4-6-13(9-11)18-16(19)15-10-14(8-7-12(15)2)22(20,21)17-3/h4-10,17H,1-3H3,(H,18,19)
InChIKeyRUNJJSVANPMVAQ-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 55752004
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 26712447
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide (CID 51297733) is 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is RUNJJSVANPMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-5-4-6-13(9-11)18-16(19)15-10-14(8-7-12(15)2)22(20,21)17-3/h4-10,17H,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51297733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).