4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid

C13H11ClN2O3S — CID 5356621

IUPAC4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClN2O3S/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)20(17,18)19/h1-9,16H,(H,17,18,19)/b15-9-
InChIKeyNAZCPLPRPAIURC-DHDCSXOGSA-N
MW310.76 g/mol
LogP3.03
Rot. Bonds4

About 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid

4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid (PubChem CID 5356621) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
PubChem CID5356621
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClN2O3S/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)20(17,18)19/h1-9,16H,(H,17,18,19)/b15-9-
InChIKeyNAZCPLPRPAIURC-DHDCSXOGSA-N
XLogP3.03
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.03
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

4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid
CID 6003117
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50883758
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 163698538
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
CID 9461390
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid?
The IUPAC name of 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid (CID 5356621) is 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid?
The canonical SMILES for 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(N/N=C\c2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid?
The InChIKey is NAZCPLPRPAIURC-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)20(17,18)19/h1-9,16H,(H,17,18,19)/b15-9-.
What are the key properties of 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid?
4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid has a molecular weight of 310.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 5356621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).