4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid

C12H11N3O3S — CID 6003117

IUPAC4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(N/N=C\c2ccccn2)cc1
InChIInChI=1S/C12H11N3O3S/c16-19(17,18)12-6-4-10(5-7-12)15-14-9-11-3-1-2-8-13-11/h1-9,15H,(H,16,17,18)/b14-9-
InChIKeyYCBUECNCMDEQMY-ZROIWOOFSA-N
MW277.31 g/mol
LogP1.77
Rot. Bonds4

About 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid

4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid (PubChem CID 6003117) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid
PubChem CID6003117
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(N/N=C\c2ccccn2)cc1
InChIInChI=1S/C12H11N3O3S/c16-19(17,18)12-6-4-10(5-7-12)15-14-9-11-3-1-2-8-13-11/h1-9,15H,(H,16,17,18)/b14-9-
InChIKeyYCBUECNCMDEQMY-ZROIWOOFSA-N
XLogP1.77
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.77
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

4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
CID 78605778
4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 5356621
hydrogen sulfate;iron;(pyridin-2-ylmethylideneamino)thiourea
CID 50909656
N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465847
sodium 4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 126465894
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
4-N,6-N-bis[(E)-pyridin-2-ylmethylideneamino]pyrimidine-2,4,6-triamine
CID 118918788
N,N-diethyl-3-nitro-4-[2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 4022283
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid?
The IUPAC name of 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid (CID 6003117) is 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid?
The canonical SMILES for 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(N/N=C\c2ccccn2)cc1.
What is the InChIKey of 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid?
The InChIKey is YCBUECNCMDEQMY-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-19(17,18)12-6-4-10(5-7-12)15-14-9-11-3-1-2-8-13-11/h1-9,15H,(H,16,17,18)/b14-9-.
What are the key properties of 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid?
4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid has a molecular weight of 277.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 6003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).