2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide

C12H8Br2F2N2O2S — CID 107624682

IUPAC2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H8Br2F2N2O2S/c13-7-2-1-6(15)3-11(7)18-21(19,20)12-4-8(14)9(16)5-10(12)17/h1-5,18H,17H2
InChIKeyXTKLHYDZUJBVGP-UHFFFAOYSA-N
MW442.08 g/mol
LogP3.87
Rot. Bonds3

About 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 107624682) has the molecular formula C12H8Br2F2N2O2S and a molecular weight of 442.08 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
PubChem CID107624682
Molecular FormulaC12H8Br2F2N2O2S
Molecular Weight442.08 g/mol
Exact Mass439.86
IUPAC Name2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H8Br2F2N2O2S/c13-7-2-1-6(15)3-11(7)18-21(19,20)12-4-8(14)9(16)5-10(12)17/h1-5,18H,17H2
InChIKeyXTKLHYDZUJBVGP-UHFFFAOYSA-N
XLogP3.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.08
LogP ≤ 53.87
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-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 106491269

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide (CID 107624682) is 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is XTKLHYDZUJBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2N2O2S/c13-7-2-1-6(15)3-11(7)18-21(19,20)12-4-8(14)9(16)5-10(12)17/h1-5,18H,17H2.
What are the key properties of 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 442.08 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107624682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).