2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide

C12H8Br3NO2S — CID 107602704

IUPAC2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Br)cccc1Br)c1ccccc1Br
InChIInChI=1S/C12H8Br3NO2S/c13-8-4-1-2-7-11(8)19(17,18)16-12-9(14)5-3-6-10(12)15/h1-7,16H
InChIKeyXLGLUDPVKGXYKU-UHFFFAOYSA-N
MW469.98 g/mol
LogP4.77
Rot. Bonds3

About 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide

2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide (PubChem CID 107602704) has the molecular formula C12H8Br3NO2S and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
PubChem CID107602704
Molecular FormulaC12H8Br3NO2S
Molecular Weight469.98 g/mol
Exact Mass466.78
IUPAC Name2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Br)cccc1Br)c1ccccc1Br
InChIInChI=1S/C12H8Br3NO2S/c13-8-4-1-2-7-11(8)19(17,18)16-12-9(14)5-3-6-10(12)15/h1-7,16H
InChIKeyXLGLUDPVKGXYKU-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide
CID 107600992
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 81241100
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide (CID 107602704) is 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide is O=S(=O)(Nc1c(Br)cccc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide?
The InChIKey is XLGLUDPVKGXYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3NO2S/c13-8-4-1-2-7-11(8)19(17,18)16-12-9(14)5-3-6-10(12)15/h1-7,16H.
What are the key properties of 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide?
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide has a molecular weight of 469.98 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 107602704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).