9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid

C18H15NO7S — CID 87313884

IUPAC9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid
SMILESO=C1CC(OCC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)C(=O)N1O
InChIInChI=1S/C18H15NO7S/c20-17-8-16(18(21)19(17)22)26-9-15-12-4-2-1-3-11(12)13-6-5-10(7-14(13)15)27(23,24)25/h1-7,15-16,22H,8-9H2,(H,23,24,25)
InChIKeyPYFHOXLGORCSDT-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.58
Rot. Bonds4

About 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid

9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid (PubChem CID 87313884) has the molecular formula C18H15NO7S and a molecular weight of 389.39 g/mol. Its IUPAC name is 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid.

Molecular Properties

Compound Name9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid
PubChem CID87313884
Molecular FormulaC18H15NO7S
Molecular Weight389.39 g/mol
Exact Mass389.06
IUPAC Name9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid
SMILESO=C1CC(OCC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)C(=O)N1O
InChIInChI=1S/C18H15NO7S/c20-17-8-16(18(21)19(17)22)26-9-15-12-4-2-1-3-11(12)13-6-5-10(7-14(13)15)27(23,24)25/h1-7,15-16,22H,8-9H2,(H,23,24,25)
InChIKeyPYFHOXLGORCSDT-UHFFFAOYSA-N
XLogP1.58
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid 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 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid?
The IUPAC name of 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid (CID 87313884) is 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid.
What is the SMILES notation for 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid?
The canonical SMILES for 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid is O=C1CC(OCC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)C(=O)N1O.
What is the InChIKey of 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid?
The InChIKey is PYFHOXLGORCSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7S/c20-17-8-16(18(21)19(17)22)26-9-15-12-4-2-1-3-11(12)13-6-5-10(7-14(13)15)27(23,24)25/h1-7,15-16,22H,8-9H2,(H,23,24,25).
What are the key properties of 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid?
9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid has a molecular weight of 389.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-hydroxy-2,5-dioxopyrrolidin-3-yl)oxymethyl]-9H-fluorene-2-sulfonic acid is sourced from PubChem (CID 87313884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).