2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid

C16H14O5S — CID 121308516

IUPAC2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
SMILESO=C(OCCS(=O)(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O5S/c17-16(21-9-10-22(18,19)20)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,19,20)
InChIKeyXCWWSDRGFDSWCZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.23
Rot. Bonds4

About 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid

2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid (PubChem CID 121308516) has the molecular formula C16H14O5S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
PubChem CID121308516
Molecular FormulaC16H14O5S
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
SMILESO=C(OCCS(=O)(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O5S/c17-16(21-9-10-22(18,19)20)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,19,20)
InChIKeyXCWWSDRGFDSWCZ-UHFFFAOYSA-N
XLogP2.23
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
CID 11058
2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
CID 70268777
2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
CID 23621651
3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
CID 138400608
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene
CID 157087220
triphenylstannyl 9H-fluorene-9-carboxylate
CID 71445890
2-(9H-fluorene-9-carbonyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040795
2-(2-anilinoacetyl)oxyethanesulfonic acid
CID 129061862
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
2-[3-(triphenyl-λ4-sulfanyl)iodanuidylcyclopentanecarbonyl]oxyethanesulfonic acid
CID 163420496
3-iodopropyl 9H-xanthene-9-carboxylate
CID 59786786

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid?
The IUPAC name of 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid (CID 121308516) is 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid.
What is the SMILES notation for 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid?
The canonical SMILES for 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid is O=C(OCCS(=O)(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid?
The InChIKey is XCWWSDRGFDSWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5S/c17-16(21-9-10-22(18,19)20)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,19,20).
What are the key properties of 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid?
2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid has a molecular weight of 318.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid is sourced from PubChem (CID 121308516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).