N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide

C17H19NO3S — CID 19023194

IUPACN-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H19NO3S/c1-11-5-7-15(9-13(11)3)17(19)18-22(20,21)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3,(H,18,19)
InChIKeyBYZNHFGLHQJZEG-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.04
Rot. Bonds3

About N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide

N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide (PubChem CID 19023194) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
PubChem CID19023194
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C17H19NO3S/c1-11-5-7-15(9-13(11)3)17(19)18-22(20,21)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3,(H,18,19)
InChIKeyBYZNHFGLHQJZEG-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide
CID 15708418
N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide
CID 47397641
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
N-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 47608430
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 52671803
dimethyl 5-[(3,4-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22774942
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide (CID 19023194) is N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide?
The InChIKey is BYZNHFGLHQJZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11-5-7-15(9-13(11)3)17(19)18-22(20,21)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide?
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide is sourced from PubChem (CID 19023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).