2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide

C12H9Br2FN2O2S — CID 61472212

IUPAC2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br2FN2O2S/c13-7-1-4-11(9(14)5-7)17-20(18,19)12-6-8(15)2-3-10(12)16/h1-6,17H,16H2
InChIKeyKCGPQOAUTFNLIB-UHFFFAOYSA-N
MW424.09 g/mol
LogP3.73
Rot. Bonds3

About 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide

2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide (PubChem CID 61472212) has the molecular formula C12H9Br2FN2O2S and a molecular weight of 424.09 g/mol. Its IUPAC name is 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
PubChem CID61472212
Molecular FormulaC12H9Br2FN2O2S
Molecular Weight424.09 g/mol
Exact Mass421.87
IUPAC Name2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br2FN2O2S/c13-7-1-4-11(9(14)5-7)17-20(18,19)12-6-8(15)2-3-10(12)16/h1-6,17H,16H2
InChIKeyKCGPQOAUTFNLIB-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.09
LogP ≤ 53.73
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

2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
3-amino-N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885868
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide (CID 61472212) is 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is KCGPQOAUTFNLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2O2S/c13-7-1-4-11(9(14)5-7)17-20(18,19)12-6-8(15)2-3-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide?
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide has a molecular weight of 424.09 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 61472212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).