N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide

C13H12Br2N2O2S — CID 104814633

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2Br)cc1N
InChIInChI=1S/C13H12Br2N2O2S/c1-8-6-10(15)12(7-11(8)16)17-20(18,19)13-5-3-2-4-9(13)14/h2-7,17H,16H2,1H3
InChIKeyRMTZMPWUNUKTSY-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.90
Rot. Bonds3

About N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide

N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide (PubChem CID 104814633) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
PubChem CID104814633
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccccc2Br)cc1N
InChIInChI=1S/C13H12Br2N2O2S/c1-8-6-10(15)12(7-11(8)16)17-20(18,19)13-5-3-2-4-9(13)14/h2-7,17H,16H2,1H3
InChIKeyRMTZMPWUNUKTSY-UHFFFAOYSA-N
XLogP3.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide 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

N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide (CID 104814633) is N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccccc2Br)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide?
The InChIKey is RMTZMPWUNUKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-8-6-10(15)12(7-11(8)16)17-20(18,19)13-5-3-2-4-9(13)14/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide?
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide is sourced from PubChem (CID 104814633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).