5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C12H19BrN2O2S — CID 65498953

IUPAC5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H19BrN2O2S/c1-8(2)15(5)18(16,17)14-12-9(3)6-11(13)7-10(12)4/h6-8,14H,1-5H3
InChIKeyCSLGTOCOQWGLAS-UHFFFAOYSA-N
MW335.27 g/mol
LogP3.06
Rot. Bonds4

About 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 65498953) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID65498953
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H19BrN2O2S/c1-8(2)15(5)18(16,17)14-12-9(3)6-11(13)7-10(12)4/h6-8,14H,1-5H3
InChIKeyCSLGTOCOQWGLAS-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene 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

4-Bromo-2,6-xylidine
CID 90549
4-Bromo-2,6-diisopropylaniline
CID 11780114
4-Bromo-2,6-diethylaniline
CID 611452
Benzenemethanamine, 2-amino-5-bromo-N-cyclohexyl-N-ethyl-3-methyl-, dihydrochloride
CID 3043342
4-Bromo-2-ethyl-6-methylaniline
CID 960761
4-Bromo-1-(dimethylsulfamoylamino)-2-methylbenzene
CID 885216
4-Bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline
CID 3043343
4-Bromo-2-[(dimethylamino)methyl]-6-(trifluoromethyl)aniline
CID 20319019
4-Bromo-2-(diethylaminomethyl)-6-(trifluoromethyl)aniline
CID 20319050
N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide
CID 118396852
CID 139074029
CID 139074029
4-Bromo-2,6-dimethylanilinium bromide monohydrate
CID 139074068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 65498953) is 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is Cc1cc(Br)cc(C)c1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is CSLGTOCOQWGLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-8(2)15(5)18(16,17)14-12-9(3)6-11(13)7-10(12)4/h6-8,14H,1-5H3.
What are the key properties of 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 335.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 65498953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).