N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide

C12H11Br2N3O2S — CID 107600992

IUPACN-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H11Br2N3O2S/c13-8-4-3-5-9(14)12(8)17-20(18,19)11-7-2-1-6-10(11)16-15/h1-7,16-17H,15H2
InChIKeyLKNVTFTVFLQBBH-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.30
Rot. Bonds4

About N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide

N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 107600992) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide
PubChem CID107600992
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC NameN-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H11Br2N3O2S/c13-8-4-3-5-9(14)12(8)17-20(18,19)11-7-2-1-6-10(11)16-15/h1-7,16-17H,15H2
InChIKeyLKNVTFTVFLQBBH-UHFFFAOYSA-N
XLogP3.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455137
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-hydrazinyl-N-pyridin-4-ylbenzenesulfonamide
CID 43383529
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
2-amino-4-cyano-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596269
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide (CID 107600992) is N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is LKNVTFTVFLQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c13-8-4-3-5-9(14)12(8)17-20(18,19)11-7-2-1-6-10(11)16-15/h1-7,16-17H,15H2.
What are the key properties of N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide?
N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 107600992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).