N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide

C12H18BrNO2S — CID 65498763

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H18BrNO2S/c1-8-6-10(13)7-9(2)11(8)14-17(15,16)12(3,4)5/h6-7,14H,1-5H3
InChIKeyWQXGEMUPWAUENV-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.61
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide

N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide (PubChem CID 65498763) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
PubChem CID65498763
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H18BrNO2S/c1-8-6-10(13)7-9(2)11(8)14-17(15,16)12(3,4)5/h6-7,14H,1-5H3
InChIKeyWQXGEMUPWAUENV-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 65498953
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide
CID 114133756
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
N-(6-amino-2,3-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 55233609
N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 63689329
1,1,1-trifluoro-N-(4-hydroxy-2,6-dimethylphenyl)methanesulfonamide
CID 125496552
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid
CID 114915284

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide (CID 65498763) is N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is WQXGEMUPWAUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-8-6-10(13)7-9(2)11(8)14-17(15,16)12(3,4)5/h6-7,14H,1-5H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 65498763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).