2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide

C13H11Br2ClN2O2S — CID 66251819

IUPAC2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-3-2-4-10(16)12(7)18-21(19,20)13-9(15)5-8(14)6-11(13)17/h2-6,18H,17H2,1H3
InChIKeyYMUNEWUWEKGTEQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.56
Rot. Bonds3

About 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide (PubChem CID 66251819) has the molecular formula C13H11Br2ClN2O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
PubChem CID66251819
Molecular FormulaC13H11Br2ClN2O2S
Molecular Weight454.57 g/mol
Exact Mass451.86
IUPAC Name2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-3-2-4-10(16)12(7)18-21(19,20)13-9(15)5-8(14)6-11(13)17/h2-6,18H,17H2,1H3
InChIKeyYMUNEWUWEKGTEQ-UHFFFAOYSA-N
XLogP4.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide 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-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
CID 66252214
3-amino-2-bromo-5-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251428
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 43257318
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
2-amino-4,6-dibromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 61113465
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide (CID 66251819) is 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
The InChIKey is YMUNEWUWEKGTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O2S/c1-7-3-2-4-10(16)12(7)18-21(19,20)13-9(15)5-8(14)6-11(13)17/h2-6,18H,17H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 66251819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).