[(E)-nonylideneamino] benzenesulfonate

C15H23NO3S — CID 87079027

IUPAC[(E)-nonylideneamino] benzenesulfonate
SMILESCCCCCCCC/C=N/OS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-2-3-4-5-6-7-11-14-16-19-20(17,18)15-12-9-8-10-13-15/h8-10,12-14H,2-7,11H2,1H3/b16-14+
InChIKeyAMCOCCQGSAFEKU-JQIJEIRASA-N
MW297.42 g/mol
LogP4.13
Rot. Bonds10

About [(E)-nonylideneamino] benzenesulfonate

[(E)-nonylideneamino] benzenesulfonate (PubChem CID 87079027) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [(E)-nonylideneamino] benzenesulfonate.

Molecular Properties

Compound Name[(E)-nonylideneamino] benzenesulfonate
PubChem CID87079027
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[(E)-nonylideneamino] benzenesulfonate
SMILESCCCCCCCC/C=N/OS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-2-3-4-5-6-7-11-14-16-19-20(17,18)15-12-9-8-10-13-15/h8-10,12-14H,2-7,11H2,1H3/b16-14+
InChIKeyAMCOCCQGSAFEKU-JQIJEIRASA-N
XLogP4.13
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(E)-nonylideneamino] benzenesulfonate?
The IUPAC name of [(E)-nonylideneamino] benzenesulfonate (CID 87079027) is [(E)-nonylideneamino] benzenesulfonate.
What is the SMILES notation for [(E)-nonylideneamino] benzenesulfonate?
The canonical SMILES for [(E)-nonylideneamino] benzenesulfonate is CCCCCCCC/C=N/OS(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-nonylideneamino] benzenesulfonate?
The InChIKey is AMCOCCQGSAFEKU-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-3-4-5-6-7-11-14-16-19-20(17,18)15-12-9-8-10-13-15/h8-10,12-14H,2-7,11H2,1H3/b16-14+.
What are the key properties of [(E)-nonylideneamino] benzenesulfonate?
[(E)-nonylideneamino] benzenesulfonate has a molecular weight of 297.42 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-nonylideneamino] benzenesulfonate is sourced from PubChem (CID 87079027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).