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

C8H11BrClN3O2S — CID 83012272

IUPAC3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C8H11BrClN3O2S/c1-13(2)12-16(14,15)7-4-5(10)3-6(11)8(7)9/h3-4,12H,11H2,1-2H3
InChIKeyGPOIPTZCOQKADQ-UHFFFAOYSA-N
MW328.62 g/mol
LogP1.44
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide

3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83012272) has the molecular formula C8H11BrClN3O2S and a molecular weight of 328.62 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83012272
Molecular FormulaC8H11BrClN3O2S
Molecular Weight328.62 g/mol
Exact Mass326.94
IUPAC Name3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C8H11BrClN3O2S/c1-13(2)12-16(14,15)7-4-5(10)3-6(11)8(7)9/h3-4,12H,11H2,1-2H3
InChIKeyGPOIPTZCOQKADQ-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.62
LogP ≤ 51.44
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

3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525
3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 62956708
3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 62956348
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485255
3-amino-2-bromo-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369284
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
3-amino-2-bromo-5-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251428

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide (CID 83012272) is 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is GPOIPTZCOQKADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3O2S/c1-13(2)12-16(14,15)7-4-5(10)3-6(11)8(7)9/h3-4,12H,11H2,1-2H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide?
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 328.62 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83012272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).