5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide

C12H9BrCl2N2O2S — CID 65202096

IUPAC5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-8-5-4-7(16)6-11(8)20(18,19)17-10-3-1-2-9(14)12(10)15/h1-6,17H,16H2
InChIKeyWAEDYQYPJUVYRI-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.14
Rot. Bonds3

About 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide

5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide (PubChem CID 65202096) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
PubChem CID65202096
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC Name5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-8-5-4-7(16)6-11(8)20(18,19)17-10-3-1-2-9(14)12(10)15/h1-6,17H,16H2
InChIKeyWAEDYQYPJUVYRI-UHFFFAOYSA-N
XLogP4.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.14
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

5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
CID 60984177
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide (CID 65202096) is 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The InChIKey is WAEDYQYPJUVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c13-8-5-4-7(16)6-11(8)20(18,19)17-10-3-1-2-9(14)12(10)15/h1-6,17H,16H2.
What are the key properties of 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide has a molecular weight of 396.09 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 65202096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).