2,4,6-trimethoxybenzenesulfonohydrazide

C9H14N2O5S — CID 96666055

IUPAC2,4,6-trimethoxybenzenesulfonohydrazide
SMILESCOc1cc(OC)c(S(=O)(=O)NN)c(OC)c1
InChIInChI=1S/C9H14N2O5S/c1-14-6-4-7(15-2)9(8(5-6)16-3)17(12,13)11-10/h4-5,11H,10H2,1-3H3
InChIKeyXOUOHELTWKFVEA-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.14
Rot. Bonds5

About 2,4,6-trimethoxybenzenesulfonohydrazide

2,4,6-trimethoxybenzenesulfonohydrazide (PubChem CID 96666055) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2,4,6-trimethoxybenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4,6-trimethoxybenzenesulfonohydrazide
PubChem CID96666055
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name2,4,6-trimethoxybenzenesulfonohydrazide
SMILESCOc1cc(OC)c(S(=O)(=O)NN)c(OC)c1
InChIInChI=1S/C9H14N2O5S/c1-14-6-4-7(15-2)9(8(5-6)16-3)17(12,13)11-10/h4-5,11H,10H2,1-3H3
InChIKeyXOUOHELTWKFVEA-UHFFFAOYSA-N
XLogP-0.14
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 120875335
N-[1-(aminomethyl)cyclopentyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120875153
N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120874306
2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 110759298
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120874621
2,4,6-trimethoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 120876426
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 43551672

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxybenzenesulfonohydrazide?
The IUPAC name of 2,4,6-trimethoxybenzenesulfonohydrazide (CID 96666055) is 2,4,6-trimethoxybenzenesulfonohydrazide.
What is the SMILES notation for 2,4,6-trimethoxybenzenesulfonohydrazide?
The canonical SMILES for 2,4,6-trimethoxybenzenesulfonohydrazide is COc1cc(OC)c(S(=O)(=O)NN)c(OC)c1.
What is the InChIKey of 2,4,6-trimethoxybenzenesulfonohydrazide?
The InChIKey is XOUOHELTWKFVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-14-6-4-7(15-2)9(8(5-6)16-3)17(12,13)11-10/h4-5,11H,10H2,1-3H3.
What are the key properties of 2,4,6-trimethoxybenzenesulfonohydrazide?
2,4,6-trimethoxybenzenesulfonohydrazide has a molecular weight of 262.29 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxybenzenesulfonohydrazide is sourced from PubChem (CID 96666055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).