2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide

C12H8Br4N2O2S — CID 63401790

IUPAC2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H8Br4N2O2S/c13-6-1-2-10(17)11(5-6)21(19,20)18-12-8(15)3-7(14)4-9(12)16/h1-5,18H,17H2
InChIKeyNFBPYKKNAXLKBK-UHFFFAOYSA-N
MW563.89 g/mol
LogP5.12
Rot. Bonds3

About 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide

2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide (PubChem CID 63401790) has the molecular formula C12H8Br4N2O2S and a molecular weight of 563.89 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
PubChem CID63401790
Molecular FormulaC12H8Br4N2O2S
Molecular Weight563.89 g/mol
Exact Mass559.70
IUPAC Name2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H8Br4N2O2S/c13-6-1-2-10(17)11(5-6)21(19,20)18-12-8(15)3-7(14)4-9(12)16/h1-5,18H,17H2
InChIKeyNFBPYKKNAXLKBK-UHFFFAOYSA-N
XLogP5.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.89
LogP ≤ 55.12
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

2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
CID 65469250
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide (CID 63401790) is 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The InChIKey is NFBPYKKNAXLKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br4N2O2S/c13-6-1-2-10(17)11(5-6)21(19,20)18-12-8(15)3-7(14)4-9(12)16/h1-5,18H,17H2.
What are the key properties of 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide?
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide has a molecular weight of 563.89 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide is sourced from PubChem (CID 63401790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).