4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide

C12H8Br3ClN2O2S — CID 43258925

IUPAC4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C12H8Br3ClN2O2S/c13-6-1-2-11(10(16)3-6)18-21(19,20)12-8(14)4-7(17)5-9(12)15/h1-5,18H,17H2
InChIKeyNSIQJKRTWBKKEM-UHFFFAOYSA-N
MW519.44 g/mol
LogP5.01
Rot. Bonds3

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

4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide (PubChem CID 43258925) has the molecular formula C12H8Br3ClN2O2S and a molecular weight of 519.44 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
PubChem CID43258925
Molecular FormulaC12H8Br3ClN2O2S
Molecular Weight519.44 g/mol
Exact Mass515.75
IUPAC Name4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C12H8Br3ClN2O2S/c13-6-1-2-11(10(16)3-6)18-21(19,20)12-8(14)4-7(17)5-9(12)15/h1-5,18H,17H2
InChIKeyNSIQJKRTWBKKEM-UHFFFAOYSA-N
XLogP5.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 55.01
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-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
CID 43257559
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide (CID 43258925) is 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide?
The InChIKey is NSIQJKRTWBKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3ClN2O2S/c13-6-1-2-11(10(16)3-6)18-21(19,20)12-8(14)4-7(17)5-9(12)15/h1-5,18H,17H2.
What are the key properties of 4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide has a molecular weight of 519.44 g/mol, XLogP of 5.01, 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-bromo-2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43258925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).