4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide

C12H9Br3N2O2S — CID 43257559

IUPAC4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C12H9Br3N2O2S/c13-7-1-3-9(4-2-7)17-20(18,19)12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2
InChIKeyJCZNWJBMCPZXPJ-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.36
Rot. Bonds3

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

4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide (PubChem CID 43257559) has the molecular formula C12H9Br3N2O2S and a molecular weight of 485.00 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
PubChem CID43257559
Molecular FormulaC12H9Br3N2O2S
Molecular Weight485.00 g/mol
Exact Mass481.79
IUPAC Name4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C12H9Br3N2O2S/c13-7-1-3-9(4-2-7)17-20(18,19)12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2
InChIKeyJCZNWJBMCPZXPJ-UHFFFAOYSA-N
XLogP4.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.36
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-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
CID 43257495
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
2,3,4,5,6-pentabromo-N-[4-[(2,3,4,5,6-pentabromophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 19782262
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide (CID 43257559) is 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide?
The InChIKey is JCZNWJBMCPZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2O2S/c13-7-1-3-9(4-2-7)17-20(18,19)12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2.
What are the key properties of 4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide has a molecular weight of 485.00 g/mol, XLogP of 4.36, 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-(4-bromophenyl)benzenesulfonamide is sourced from PubChem (CID 43257559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).