3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide

C12H9Br2FN2O2S — CID 115328712

IUPAC3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(F)cc2Br)ccc1Br
InChIInChI=1S/C12H9Br2FN2O2S/c13-9-3-2-8(6-11(9)16)20(18,19)17-12-4-1-7(15)5-10(12)14/h1-6,17H,16H2
InChIKeyHZIXIAQRVLSYSV-UHFFFAOYSA-N
MW424.09 g/mol
LogP3.73
Rot. Bonds3

About 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide

3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide (PubChem CID 115328712) has the molecular formula C12H9Br2FN2O2S and a molecular weight of 424.09 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
PubChem CID115328712
Molecular FormulaC12H9Br2FN2O2S
Molecular Weight424.09 g/mol
Exact Mass421.87
IUPAC Name3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(F)cc2Br)ccc1Br
InChIInChI=1S/C12H9Br2FN2O2S/c13-9-3-2-8(6-11(9)16)20(18,19)17-12-4-1-7(15)5-10(12)14/h1-6,17H,16H2
InChIKeyHZIXIAQRVLSYSV-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

3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
3-amino-4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 115329158
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide (CID 115328712) is 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccc(F)cc2Br)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide?
The InChIKey is HZIXIAQRVLSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2O2S/c13-9-3-2-8(6-11(9)16)20(18,19)17-12-4-1-7(15)5-10(12)14/h1-6,17H,16H2.
What are the key properties of 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide?
3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide 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 3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 115328712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).