N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide

C12H9Br3N2O2S — CID 29008391

IUPACN-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
SMILESNc1cc(Br)ccc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br3N2O2S/c13-7-2-4-11(10(16)5-7)17-20(18,19)12-6-8(14)1-3-9(12)15/h1-6,17H,16H2
InChIKeyJAPVYGBJEDZZLX-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.36
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide

N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide (PubChem CID 29008391) has the molecular formula C12H9Br3N2O2S and a molecular weight of 485.00 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
PubChem CID29008391
Molecular FormulaC12H9Br3N2O2S
Molecular Weight485.00 g/mol
Exact Mass481.79
IUPAC NameN-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
SMILESNc1cc(Br)ccc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br3N2O2S/c13-7-2-4-11(10(16)5-7)17-20(18,19)12-6-8(14)1-3-9(12)15/h1-6,17H,16H2
InChIKeyJAPVYGBJEDZZLX-UHFFFAOYSA-N
XLogP4.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.36
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-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
CID 107697937
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide (CID 29008391) is N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide is Nc1cc(Br)ccc1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is JAPVYGBJEDZZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2O2S/c13-7-2-4-11(10(16)5-7)17-20(18,19)12-6-8(14)1-3-9(12)15/h1-6,17H,16H2.
What are the key properties of N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide?
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 485.00 g/mol, XLogP of 4.36, 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-bromophenyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 29008391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).