N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide

C12H8Br2Cl2N2O2S — CID 43550658

IUPACN-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Br2Cl2N2O2S/c13-6-3-8(14)12(11(17)4-6)18-21(19,20)7-1-2-9(15)10(16)5-7/h1-5,18H,17H2
InChIKeyMUPRIELLZDYSFM-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.90
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide

N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 43550658) has the molecular formula C12H8Br2Cl2N2O2S and a molecular weight of 474.99 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID43550658
Molecular FormulaC12H8Br2Cl2N2O2S
Molecular Weight474.99 g/mol
Exact Mass471.81
IUPAC NameN-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Br2Cl2N2O2S/c13-6-3-8(14)12(11(17)4-6)18-21(19,20)7-1-2-9(15)10(16)5-7/h1-5,18H,17H2
InChIKeyMUPRIELLZDYSFM-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

3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide (CID 43550658) is N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide is Nc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is MUPRIELLZDYSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2N2O2S/c13-6-3-8(14)12(11(17)4-6)18-21(19,20)7-1-2-9(15)10(16)5-7/h1-5,18H,17H2.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide?
N-(2-amino-4,6-dibromophenyl)-3,4-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)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 43550658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).