(fluoren-9-ylideneamino) sulfate

C13H8NO4S- — CID 3696865

IUPAC(fluoren-9-ylideneamino) sulfate
SMILESO=S(=O)([O-])ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H9NO4S/c15-19(16,17)18-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H,15,16,17)/p-1
InChIKeyHIMWGXURLMJRFL-UHFFFAOYSA-M
MW274.28 g/mol
LogP1.90
Rot. Bonds2

About (fluoren-9-ylideneamino) sulfate

(fluoren-9-ylideneamino) sulfate (PubChem CID 3696865) has the molecular formula C13H8NO4S- and a molecular weight of 274.28 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) sulfate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) sulfate
PubChem CID3696865
Molecular FormulaC13H8NO4S-
Molecular Weight274.28 g/mol
Exact Mass274.02
IUPAC Name(fluoren-9-ylideneamino) sulfate
SMILESO=S(=O)([O-])ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H9NO4S/c15-19(16,17)18-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H,15,16,17)/p-1
InChIKeyHIMWGXURLMJRFL-UHFFFAOYSA-M
XLogP1.90
TPSA78.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.90
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze (fluoren-9-ylideneamino) sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (fluoren-9-ylideneamino) sulfate?
The IUPAC name of (fluoren-9-ylideneamino) sulfate (CID 3696865) is (fluoren-9-ylideneamino) sulfate.
What is the SMILES notation for (fluoren-9-ylideneamino) sulfate?
The canonical SMILES for (fluoren-9-ylideneamino) sulfate is O=S(=O)([O-])ON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of (fluoren-9-ylideneamino) sulfate?
The InChIKey is HIMWGXURLMJRFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9NO4S/c15-19(16,17)18-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H,15,16,17)/p-1.
What are the key properties of (fluoren-9-ylideneamino) sulfate?
(fluoren-9-ylideneamino) sulfate has a molecular weight of 274.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) sulfate is sourced from PubChem (CID 3696865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).