2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid

C9H10N2O4S — CID 6113992

IUPAC2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid
SMILESCC(=O)N/N=C\c1ccccc1S(=O)(=O)O
InChIInChI=1S/C9H10N2O4S/c1-7(12)11-10-6-8-4-2-3-5-9(8)16(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b10-6-
InChIKeyMVJGVVZNHIEITL-POHAHGRESA-N
MW242.26 g/mol
LogP0.40
Rot. Bonds3

About 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid

2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid (PubChem CID 6113992) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid
PubChem CID6113992
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid
SMILESCC(=O)N/N=C\c1ccccc1S(=O)(=O)O
InChIInChI=1S/C9H10N2O4S/c1-7(12)11-10-6-8-4-2-3-5-9(8)16(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b10-6-
InChIKeyMVJGVVZNHIEITL-POHAHGRESA-N
XLogP0.40
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-[(E)-[[(Z)-(2-sulfophenyl)methylideneamino]carbamoylhydrazinylidene]methyl]benzenesulfonic acid
CID 54605533
2-[(Z)-[[(2R)-2-acetamido-3-hydroxypropanoyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 102349331
2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 163698538
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
3-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid
CID 88896863
N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
CID 87802277
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-[(E)-[[amino-(hydroxyamino)methylidene]hydrazinylidene]methyl]benzenesulfonic acid
CID 173023985
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
CID 7937324
2-ethenylbenzenesulfonic acid
CID 161490655
N-[(2-tert-butylsulfonylphenyl)methylideneamino]pyridine-4-carboxamide
CID 4605213
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid?
The IUPAC name of 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid (CID 6113992) is 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid.
What is the SMILES notation for 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid?
The canonical SMILES for 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid is CC(=O)N/N=C\c1ccccc1S(=O)(=O)O.
What is the InChIKey of 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid?
The InChIKey is MVJGVVZNHIEITL-POHAHGRESA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-7(12)11-10-6-8-4-2-3-5-9(8)16(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b10-6-.
What are the key properties of 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid?
2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid has a molecular weight of 242.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid is sourced from PubChem (CID 6113992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).