5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide

C8H12BrN3O2S — CID 83013292

IUPAC5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C8H12BrN3O2S/c1-12(2)11-15(13,14)8-5-6(10)3-4-7(8)9/h3-5,11H,10H2,1-2H3
InChIKeyYXPIOCKYZSHQGQ-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.79
Rot. Bonds3

About 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide

5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83013292) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83013292
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C8H12BrN3O2S/c1-12(2)11-15(13,14)8-5-6(10)3-4-7(8)9/h3-5,11H,10H2,1-2H3
InChIKeyYXPIOCKYZSHQGQ-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
5-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65206847
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide (CID 83013292) is 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is YXPIOCKYZSHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c1-12(2)11-15(13,14)8-5-6(10)3-4-7(8)9/h3-5,11H,10H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide?
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 294.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83013292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).