4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine

C9H14BrN3O2S — CID 114804982

IUPAC4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine
SMILESCCNS(=O)(=O)Nc1cc(N)c(C)cc1Br
InChIInChI=1S/C9H14BrN3O2S/c1-3-12-16(14,15)13-9-5-8(11)6(2)4-7(9)10/h4-5,12-13H,3,11H2,1-2H3
InChIKeyPFNINQQWQJWHKU-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.61
Rot. Bonds4

About 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine

4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine (PubChem CID 114804982) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine
PubChem CID114804982
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine
SMILESCCNS(=O)(=O)Nc1cc(N)c(C)cc1Br
InChIInChI=1S/C9H14BrN3O2S/c1-3-12-16(14,15)13-9-5-8(11)6(2)4-7(9)10/h4-5,12-13H,3,11H2,1-2H3
InChIKeyPFNINQQWQJWHKU-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine 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

3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
2-(4-amino-2-bromo-5-methylanilino)-N-ethylethanesulfonamide
CID 114174899
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
CID 104814646
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
2-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 114808956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine?
The IUPAC name of 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine (CID 114804982) is 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine?
The canonical SMILES for 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine is CCNS(=O)(=O)Nc1cc(N)c(C)cc1Br.
What is the InChIKey of 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine?
The InChIKey is PFNINQQWQJWHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-3-12-16(14,15)13-9-5-8(11)6(2)4-7(9)10/h4-5,12-13H,3,11H2,1-2H3.
What are the key properties of 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine?
4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine has a molecular weight of 308.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine is sourced from PubChem (CID 114804982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).