2-methoxy-4,5-dimethylbenzenesulfonohydrazide

C9H14N2O3S — CID 82081811

IUPAC2-methoxy-4,5-dimethylbenzenesulfonohydrazide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NN
InChIInChI=1S/C9H14N2O3S/c1-6-4-8(14-3)9(5-7(6)2)15(12,13)11-10/h4-5,11H,10H2,1-3H3
InChIKeyXTIAMVBYOWTZLU-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.46
Rot. Bonds3

About 2-methoxy-4,5-dimethylbenzenesulfonohydrazide

2-methoxy-4,5-dimethylbenzenesulfonohydrazide (PubChem CID 82081811) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethylbenzenesulfonohydrazide
PubChem CID82081811
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-methoxy-4,5-dimethylbenzenesulfonohydrazide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NN
InChIInChI=1S/C9H14N2O3S/c1-6-4-8(14-3)9(5-7(6)2)15(12,13)11-10/h4-5,11H,10H2,1-3H3
InChIKeyXTIAMVBYOWTZLU-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
1-methoxy-4,5-dimethyl-2-propan-2-ylsulfonylbenzene
CID 117031955
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine
CID 117036146
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2-methoxy-4,5-dimethylbenzenesulfonohydrazide (CID 82081811) is 2-methoxy-4,5-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2-methoxy-4,5-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2-methoxy-4,5-dimethylbenzenesulfonohydrazide is COc1cc(C)c(C)cc1S(=O)(=O)NN.
What is the InChIKey of 2-methoxy-4,5-dimethylbenzenesulfonohydrazide?
The InChIKey is XTIAMVBYOWTZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-4-8(14-3)9(5-7(6)2)15(12,13)11-10/h4-5,11H,10H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethylbenzenesulfonohydrazide?
2-methoxy-4,5-dimethylbenzenesulfonohydrazide has a molecular weight of 230.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 82081811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).