9,10-dihydroacridine-1-sulfonic acid

C13H11NO3S — CID 163637322

IUPAC9,10-dihydroacridine-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1Cc1ccccc1N2
InChIInChI=1S/C13H11NO3S/c15-18(16,17)13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h1-7,14H,8H2,(H,15,16,17)
InChIKeyIBHHJBHGWXGMDO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.58
Rot. Bonds1

About 9,10-dihydroacridine-1-sulfonic acid

9,10-dihydroacridine-1-sulfonic acid (PubChem CID 163637322) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 9,10-dihydroacridine-1-sulfonic acid.

Molecular Properties

Compound Name9,10-dihydroacridine-1-sulfonic acid
PubChem CID163637322
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name9,10-dihydroacridine-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1Cc1ccccc1N2
InChIInChI=1S/C13H11NO3S/c15-18(16,17)13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h1-7,14H,8H2,(H,15,16,17)
InChIKeyIBHHJBHGWXGMDO-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,10-dihydroacridine
CID 137366999
1-(9,10-dihydroacridin-1-yl)cyclopropan-1-amine
CID 154343890
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CID 160648154
9H-fluorene-1,2-disulfonic acid
CID 22770255
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
5,7,12,14-tetrahydroquinolino[3,2-b]acridine
CID 158918196
3,4-dihydro-1H-quinolin-2-one;methanesulfonic acid
CID 21248382
1,3-dihydroindol-2-one;ethane
CID 54350510
palladium;2-phosphanylbenzenesulfonic acid
CID 175131812
acetic acid;1,3-dihydroindol-2-one
CID 158067424
4,9-dihydro-2H-pyrrolo[3,4-b]quinoline
CID 91500858
5-sulfo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 22003034

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroacridine-1-sulfonic acid?
The IUPAC name of 9,10-dihydroacridine-1-sulfonic acid (CID 163637322) is 9,10-dihydroacridine-1-sulfonic acid.
What is the SMILES notation for 9,10-dihydroacridine-1-sulfonic acid?
The canonical SMILES for 9,10-dihydroacridine-1-sulfonic acid is O=S(=O)(O)c1cccc2c1Cc1ccccc1N2.
What is the InChIKey of 9,10-dihydroacridine-1-sulfonic acid?
The InChIKey is IBHHJBHGWXGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-18(16,17)13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h1-7,14H,8H2,(H,15,16,17).
What are the key properties of 9,10-dihydroacridine-1-sulfonic acid?
9,10-dihydroacridine-1-sulfonic acid has a molecular weight of 261.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroacridine-1-sulfonic acid is sourced from PubChem (CID 163637322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).