[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate

C14H10N2O3S — CID 21301969

IUPAC[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate
SMILESN#C/C(=N\OS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c15-11-14(12-7-3-1-4-8-12)16-19-20(17,18)13-9-5-2-6-10-13/h1-10H/b16-14+
InChIKeyZDGGACVBIDURAY-JQIJEIRASA-N
MW286.31 g/mol
LogP2.32
Rot. Bonds4

About [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate

[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate (PubChem CID 21301969) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate.

Molecular Properties

Compound Name[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate
PubChem CID21301969
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate
SMILESN#C/C(=N\OS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c15-11-14(12-7-3-1-4-8-12)16-19-20(17,18)13-9-5-2-6-10-13/h1-10H/b16-14+
InChIKeyZDGGACVBIDURAY-JQIJEIRASA-N
XLogP2.32
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate?
The IUPAC name of [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate (CID 21301969) is [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate.
What is the SMILES notation for [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate?
The canonical SMILES for [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate is N#C/C(=N\OS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate?
The InChIKey is ZDGGACVBIDURAY-JQIJEIRASA-N. The full InChI is InChI=1S/C14H10N2O3S/c15-11-14(12-7-3-1-4-8-12)16-19-20(17,18)13-9-5-2-6-10-13/h1-10H/b16-14+.
What are the key properties of [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate?
[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate has a molecular weight of 286.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate is sourced from PubChem (CID 21301969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).