N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide

C12H8Br2Cl2N2O2S — CID 43550659

IUPACN-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Br2Cl2N2O2S/c13-6-3-8(14)12(10(17)4-6)18-21(19,20)11-5-7(15)1-2-9(11)16/h1-5,18H,17H2
InChIKeyUAKZJXQESOMUSR-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.90
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide

N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 43550659) has the molecular formula C12H8Br2Cl2N2O2S and a molecular weight of 474.99 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
PubChem CID43550659
Molecular FormulaC12H8Br2Cl2N2O2S
Molecular Weight474.99 g/mol
Exact Mass471.81
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Br2Cl2N2O2S/c13-6-3-8(14)12(10(17)4-6)18-21(19,20)11-5-7(15)1-2-9(11)16/h1-5,18H,17H2
InChIKeyUAKZJXQESOMUSR-UHFFFAOYSA-N
XLogP4.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
CID 65469250
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide (CID 43550659) is N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide is Nc1cc(Br)cc(Br)c1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is UAKZJXQESOMUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2N2O2S/c13-6-3-8(14)12(10(17)4-6)18-21(19,20)11-5-7(15)1-2-9(11)16/h1-5,18H,17H2.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide?
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 474.99 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 43550659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).