benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid

C10H6N2O7S2 — CID 56842895

IUPACbenzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid
SMILESO=S(=O)(O)c1cc2nnoc2c2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18)
InChIKeyLECKNZAHKTZQKV-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.87
Rot. Bonds2

About benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid

benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid (PubChem CID 56842895) has the molecular formula C10H6N2O7S2 and a molecular weight of 330.30 g/mol. Its IUPAC name is benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid.

Molecular Properties

Compound Namebenzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid
PubChem CID56842895
Molecular FormulaC10H6N2O7S2
Molecular Weight330.30 g/mol
Exact Mass329.96
IUPAC Namebenzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid
SMILESO=S(=O)(O)c1cc2nnoc2c2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18)
InChIKeyLECKNZAHKTZQKV-UHFFFAOYSA-N
XLogP0.87
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-hydroxynaphthalene-1,5-disulfonic acid
CID 19768160
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
5-sulfonaphthalene-1-sulfonate
CID 3517121
disodium;hydride;perylene-3,10-disulfonic acid
CID 173363289
CID 159749157
CID 159749157
4-fluoro-3-[[4-[(1-fluoro-4,8-disulfonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]naphthalene-1,5-disulfonic acid
CID 54527743
naphthalene-1-sulfonic acid
CID 158712346
5,8-ditert-butylnaphthalene-1-sulfonic acid
CID 58734574
azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
CID 174609443
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955

Frequently Asked Questions

What is the IUPAC name of benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid?
The IUPAC name of benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid (CID 56842895) is benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid.
What is the SMILES notation for benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid?
The canonical SMILES for benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid is O=S(=O)(O)c1cc2nnoc2c2c(S(=O)(=O)O)cccc12.
What is the InChIKey of benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid?
The InChIKey is LECKNZAHKTZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18).
What are the key properties of benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid?
benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid has a molecular weight of 330.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid is sourced from PubChem (CID 56842895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).