2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid

C14H14N2O4S — CID 169381664

IUPAC2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
SMILESCOc1ccc(C=NNc2ccccc2)cc1S(=O)(=O)O
InChIInChI=1S/C14H14N2O4S/c1-20-13-8-7-11(9-14(13)21(17,18)19)10-15-16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,17,18,19)
InChIKeyRZGLVBJALXIGIW-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid

2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid (PubChem CID 169381664) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
PubChem CID169381664
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
SMILESCOc1ccc(C=NNc2ccccc2)cc1S(=O)(=O)O
InChIInChI=1S/C14H14N2O4S/c1-20-13-8-7-11(9-14(13)21(17,18)19)10-15-16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,17,18,19)
InChIKeyRZGLVBJALXIGIW-UHFFFAOYSA-N
XLogP2.39
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.39
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-methoxy-5-[(E)-[[2-[(2E)-2-[(4-methoxy-3-sulfophenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 54605292
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
5-[(carbamothioylhydrazinylidene)methyl]-2-methoxybenzenesulfonic acid
CID 5035221
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
CID 131883887
CID 131883887
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxybenzenesulfonic acid;hydrochloride
CID 54601430
[2-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 110340983
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate
CID 20982245
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 129440523
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid?
The IUPAC name of 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid (CID 169381664) is 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid.
What is the SMILES notation for 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid?
The canonical SMILES for 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid is COc1ccc(C=NNc2ccccc2)cc1S(=O)(=O)O.
What is the InChIKey of 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid?
The InChIKey is RZGLVBJALXIGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-13-8-7-11(9-14(13)21(17,18)19)10-15-16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,17,18,19).
What are the key properties of 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid?
2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid has a molecular weight of 306.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid is sourced from PubChem (CID 169381664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).