acridine-1,2-disulfonic acid

C13H9NO6S2 — CID 151823397

IUPACacridine-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2nc3ccccc3cc2c1S(=O)(=O)O
InChIInChI=1S/C13H9NO6S2/c15-21(16,17)12-6-5-11-9(13(12)22(18,19)20)7-8-3-1-2-4-10(8)14-11/h1-7H,(H,15,16,17)(H,18,19,20)
InChIKeySDCDCMQXJUUFPJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.88
Rot. Bonds2

About acridine-1,2-disulfonic acid

acridine-1,2-disulfonic acid (PubChem CID 151823397) has the molecular formula C13H9NO6S2 and a molecular weight of 339.35 g/mol. Its IUPAC name is acridine-1,2-disulfonic acid.

Molecular Properties

Compound Nameacridine-1,2-disulfonic acid
PubChem CID151823397
Molecular FormulaC13H9NO6S2
Molecular Weight339.35 g/mol
Exact Mass338.99
IUPAC Nameacridine-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2nc3ccccc3cc2c1S(=O)(=O)O
InChIInChI=1S/C13H9NO6S2/c15-21(16,17)12-6-5-11-9(13(12)22(18,19)20)7-8-3-1-2-4-10(8)14-11/h1-7H,(H,15,16,17)(H,18,19,20)
InChIKeySDCDCMQXJUUFPJ-UHFFFAOYSA-N
XLogP1.88
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 173016081
CID 173016081
CID 87562109
CID 87562109
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
acridine-1-sulfonamide;methane
CID 175223861
1-chloronaphthalene-2-sulfonic acid
CID 14389107
7-hydroxynaphthalene-1,2-disulfonic acid
CID 101310160
acridine-1-sulfinic acid
CID 91240554
1-chloro-2-ethylacridine
CID 174720098
acridine
CID 21226281
acridin-1-yl trifluoromethanesulfonate
CID 56994596
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
bis(2-aminoacridin-1-yl)methanone
CID 175429636

Frequently Asked Questions

What is the IUPAC name of acridine-1,2-disulfonic acid?
The IUPAC name of acridine-1,2-disulfonic acid (CID 151823397) is acridine-1,2-disulfonic acid.
What is the SMILES notation for acridine-1,2-disulfonic acid?
The canonical SMILES for acridine-1,2-disulfonic acid is O=S(=O)(O)c1ccc2nc3ccccc3cc2c1S(=O)(=O)O.
What is the InChIKey of acridine-1,2-disulfonic acid?
The InChIKey is SDCDCMQXJUUFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO6S2/c15-21(16,17)12-6-5-11-9(13(12)22(18,19)20)7-8-3-1-2-4-10(8)14-11/h1-7H,(H,15,16,17)(H,18,19,20).
What are the key properties of acridine-1,2-disulfonic acid?
acridine-1,2-disulfonic acid has a molecular weight of 339.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-1,2-disulfonic acid is sourced from PubChem (CID 151823397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).