4-bromo-N',N'-dimethylbenzenesulfonohydrazide

C8H11BrN2O2S — CID 83023481

IUPAC4-bromo-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN2O2S/c1-11(2)10-14(12,13)8-5-3-7(9)4-6-8/h3-6,10H,1-2H3
InChIKeyBNYOCBOYSKUXHW-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.20
Rot. Bonds3

About 4-bromo-N',N'-dimethylbenzenesulfonohydrazide

4-bromo-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83023481) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 4-bromo-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-bromo-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83023481
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name4-bromo-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN2O2S/c1-11(2)10-14(12,13)8-5-3-7(9)4-6-8/h3-6,10H,1-2H3
InChIKeyBNYOCBOYSKUXHW-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.20
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-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727
4-bromobenzenesulfonyl chloride
CID 174561770
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
1-[(4-bromophenyl)sulfonylamino]-1-(1,1,2,3,3,3-hexafluoro-2-methylpropyl)urea
CID 87429441
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-bromo-N',N'-dimethylbenzenesulfonohydrazide (CID 83023481) is 4-bromo-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-bromo-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is BNYOCBOYSKUXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-11(2)10-14(12,13)8-5-3-7(9)4-6-8/h3-6,10H,1-2H3.
What are the key properties of 4-bromo-N',N'-dimethylbenzenesulfonohydrazide?
4-bromo-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 279.16 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83023481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).