5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide

C12H9BrF2N2O2S — CID 65202383

IUPAC5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-5-4-7(16)6-11(8)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H,16H2
InChIKeyWJAJSWQKOBDOBT-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.11
Rot. Bonds3

About 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide

5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 65202383) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID65202383
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-5-4-7(16)6-11(8)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H,16H2
InChIKeyWJAJSWQKOBDOBT-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.11
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-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide (CID 65202383) is 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is WJAJSWQKOBDOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c13-8-5-4-7(16)6-11(8)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H,16H2.
What are the key properties of 5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.11, 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-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 65202383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).