N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide

C17H20N2O3S — CID 7719621

IUPACN-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-6-5-7-13(2)16(12)18-17(20)14-8-10-15(11-9-14)23(21,22)19(3)4/h5-11H,1-4H3,(H,18,20)
InChIKeyYUQWWMKGPCOVFK-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide

N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 7719621) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID7719621
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-6-5-7-13(2)16(12)18-17(20)14-8-10-15(11-9-14)23(21,22)19(3)4/h5-11H,1-4H3,(H,18,20)
InChIKeyYUQWWMKGPCOVFK-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide (CID 7719621) is N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is YUQWWMKGPCOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-6-5-7-13(2)16(12)18-17(20)14-8-10-15(11-9-14)23(21,22)19(3)4/h5-11H,1-4H3,(H,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide?
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.81, 4 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-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 7719621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).