9H-fluorene-1,2-disulfonic acid

C13H10O6S2 — CID 22770255

IUPAC9H-fluorene-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1S(=O)(=O)O)Cc1ccccc1-2
InChIInChI=1S/C13H10O6S2/c14-20(15,16)12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)21(17,18)19/h1-6H,7H2,(H,14,15,16)(H,17,18,19)
InChIKeySIAKPUUEJVOXBR-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.75
Rot. Bonds2

About 9H-fluorene-1,2-disulfonic acid

9H-fluorene-1,2-disulfonic acid (PubChem CID 22770255) has the molecular formula C13H10O6S2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 9H-fluorene-1,2-disulfonic acid.

Molecular Properties

Compound Name9H-fluorene-1,2-disulfonic acid
PubChem CID22770255
Molecular FormulaC13H10O6S2
Molecular Weight326.35 g/mol
Exact Mass325.99
IUPAC Name9H-fluorene-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1S(=O)(=O)O)Cc1ccccc1-2
InChIInChI=1S/C13H10O6S2/c14-20(15,16)12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)21(17,18)19/h1-6H,7H2,(H,14,15,16)(H,17,18,19)
InChIKeySIAKPUUEJVOXBR-UHFFFAOYSA-N
XLogP1.75
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-9H-fluorene-2-sulfonic acid;thiophene
CID 162031417
9H-fluorene;methanesulfonic acid
CID 172770963
1-methylsulfonyl-9H-fluorene
CID 150271326
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,2-bis(trifluoromethylsulfonyl)-9H-fluorene;trimethyl(oxiran-2-ylmethyl)azanium
CID 159128401
diazo(9H-fluoren-1-yl)methanesulfonic acid
CID 150163710
1,2-bis(trifluoromethylsulfonyl)-9H-fluorene;ethyl-dimethyl-nonylazanium
CID 162080939
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-bromo-2-iodo-9H-fluorene
CID 69464063
1-phenyl-9H-fluorene;4-(trifluoromethyl)benzenesulfonic acid
CID 158777181
9,10-dihydroacridine-1-sulfonic acid
CID 163637322

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene-1,2-disulfonic acid?
The IUPAC name of 9H-fluorene-1,2-disulfonic acid (CID 22770255) is 9H-fluorene-1,2-disulfonic acid.
What is the SMILES notation for 9H-fluorene-1,2-disulfonic acid?
The canonical SMILES for 9H-fluorene-1,2-disulfonic acid is O=S(=O)(O)c1ccc2c(c1S(=O)(=O)O)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene-1,2-disulfonic acid?
The InChIKey is SIAKPUUEJVOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6S2/c14-20(15,16)12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)21(17,18)19/h1-6H,7H2,(H,14,15,16)(H,17,18,19).
What are the key properties of 9H-fluorene-1,2-disulfonic acid?
9H-fluorene-1,2-disulfonic acid has a molecular weight of 326.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-1,2-disulfonic acid is sourced from PubChem (CID 22770255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).