2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene

C9H13BrN2O2S — CID 63334388

IUPAC2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)C)cc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-7-4-5-8(6-9(7)10)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyWIVJLZNLZLPWGM-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.98
Rot. Bonds3

About 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene

2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene (PubChem CID 63334388) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
PubChem CID63334388
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)C)cc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-7-4-5-8(6-9(7)10)11-15(13,14)12(2)3/h4-6,11H,1-3H3
InChIKeyWIVJLZNLZLPWGM-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene 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

1-amino-2-bromo-4-(dimethylsulfamoylamino)benzene
CID 82862036
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
N-(3-bromo-4-methylphenyl)-4-nitrobenzenesulfonamide;ethane
CID 156650694
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene?
The IUPAC name of 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene (CID 63334388) is 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene?
The canonical SMILES for 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene is Cc1ccc(NS(=O)(=O)N(C)C)cc1Br.
What is the InChIKey of 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene?
The InChIKey is WIVJLZNLZLPWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-7-4-5-8(6-9(7)10)11-15(13,14)12(2)3/h4-6,11H,1-3H3.
What are the key properties of 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene?
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene has a molecular weight of 293.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene is sourced from PubChem (CID 63334388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).