2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide

C8H9BrF2N2O2S — CID 83022882

IUPAC2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H9BrF2N2O2S/c1-13(2)12-16(14,15)8-6(9)3-5(10)4-7(8)11/h3-4,12H,1-2H3
InChIKeyXNMPTPYXFHUZLK-UHFFFAOYSA-N
MW315.14 g/mol
LogP1.48
Rot. Bonds3

About 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide

2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83022882) has the molecular formula C8H9BrF2N2O2S and a molecular weight of 315.14 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83022882
Molecular FormulaC8H9BrF2N2O2S
Molecular Weight315.14 g/mol
Exact Mass313.95
IUPAC Name2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H9BrF2N2O2S/c1-13(2)12-16(14,15)8-6(9)3-5(10)4-7(8)11/h3-4,12H,1-2H3
InChIKeyXNMPTPYXFHUZLK-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(dimethylamino)-3-methylbutyl]-4,6-difluorobenzenesulfonamide
CID 60716587
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83022545
2-bromo-4,6-difluorobenzenesulfonyl fluoride
CID 99939039
2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237176
2-(3-aminoprop-1-ynyl)-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83023748
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79117967
2-bromo-4,6-difluorobenzenesulfonic acid
CID 87704904
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79044269
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide (CID 83022882) is 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is XNMPTPYXFHUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O2S/c1-13(2)12-16(14,15)8-6(9)3-5(10)4-7(8)11/h3-4,12H,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide?
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 315.14 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83022882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).