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

C8H12BrN3O2S — CID 83012506

IUPAC2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C8H12BrN3O2S/c1-12(2)11-15(13,14)8-5-6(9)3-4-7(8)10/h3-5,11H,10H2,1-2H3
InChIKeyHCIYPMLFVDMLPN-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.79
Rot. Bonds3

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

2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83012506) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83012506
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C8H12BrN3O2S/c1-12(2)11-15(13,14)8-5-6(9)3-4-7(8)10/h3-5,11H,10H2,1-2H3
InChIKeyHCIYPMLFVDMLPN-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'}

Analyze 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 54888419
1-(2-amino-5-bromophenyl)sulfonyl-3-tert-butylurea
CID 116646538

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide (CID 83012506) is 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is HCIYPMLFVDMLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c1-12(2)11-15(13,14)8-5-6(9)3-4-7(8)10/h3-5,11H,10H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide?
2-amino-5-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 2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83012506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).