4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide

C12H9Br2FN2O2S — CID 43257495

IUPAC4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C12H9Br2FN2O2S/c13-10-5-8(16)6-11(14)12(10)20(18,19)17-9-3-1-2-7(15)4-9/h1-6,17H,16H2
InChIKeyAEDISBUHHZIYAX-UHFFFAOYSA-N
MW424.09 g/mol
LogP3.73
Rot. Bonds3

About 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 43257495) has the molecular formula C12H9Br2FN2O2S and a molecular weight of 424.09 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID43257495
Molecular FormulaC12H9Br2FN2O2S
Molecular Weight424.09 g/mol
Exact Mass421.87
IUPAC Name4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C12H9Br2FN2O2S/c13-10-5-8(16)6-11(14)12(10)20(18,19)17-9-3-1-2-7(15)4-9/h1-6,17H,16H2
InChIKeyAEDISBUHHZIYAX-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

4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
CID 43257559
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide (CID 43257495) is 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is AEDISBUHHZIYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2O2S/c13-10-5-8(16)6-11(14)12(10)20(18,19)17-9-3-1-2-7(15)4-9/h1-6,17H,16H2.
What are the key properties of 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(3-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 4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43257495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).