(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid

C9H10N2O5S — CID 5373444

IUPAC(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
SMILESCOc1ccc(S(=O)(=O)N/N=C\C(=O)O)cc1
InChIInChI=1S/C9H10N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)11-10-6-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6-
InChIKeyBHAJEYKQHZPCHD-POHAHGRESA-N
MW258.25 g/mol
LogP0.04
Rot. Bonds5

About (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid

(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid (PubChem CID 5373444) has the molecular formula C9H10N2O5S and a molecular weight of 258.25 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
PubChem CID5373444
Molecular FormulaC9H10N2O5S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
SMILESCOc1ccc(S(=O)(=O)N/N=C\C(=O)O)cc1
InChIInChI=1S/C9H10N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)11-10-6-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6-
InChIKeyBHAJEYKQHZPCHD-POHAHGRESA-N
XLogP0.04
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid 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

3-[(E)-[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]azetidine-1-carboxylic acid
CID 174209431
N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
CID 5477861
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
4-methoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135506648
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide
CID 136759638
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
4-methoxy-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 135567679
[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
CID 1373230

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid (CID 5373444) is (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid is COc1ccc(S(=O)(=O)N/N=C\C(=O)O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid?
The InChIKey is BHAJEYKQHZPCHD-POHAHGRESA-N. The full InChI is InChI=1S/C9H10N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)11-10-6-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid?
(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid has a molecular weight of 258.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid is sourced from PubChem (CID 5373444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).