4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide

C13H12Br2N2O2S — CID 107596339

IUPAC4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-8-7-9(16)5-6-12(8)20(18,19)17-13-10(14)3-2-4-11(13)15/h2-7,17H,16H2,1H3
InChIKeyRPBSODOXAYJZIG-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.90
Rot. Bonds3

About 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide

4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide (PubChem CID 107596339) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
PubChem CID107596339
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC Name4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-8-7-9(16)5-6-12(8)20(18,19)17-13-10(14)3-2-4-11(13)15/h2-7,17H,16H2,1H3
InChIKeyRPBSODOXAYJZIG-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 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide 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-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 43258171
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 61400770

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide (CID 107596339) is 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
The InChIKey is RPBSODOXAYJZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-8-7-9(16)5-6-12(8)20(18,19)17-13-10(14)3-2-4-11(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide 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 4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107596339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).