azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid

C10H9NO3S — CID 174609443

IUPACazane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
SMILESN.O=S(=O)(O)c1cc2cccc3c1C=c23
InChIInChI=1S/C10H6O3S.H3N/c11-14(12,13)10-4-6-2-1-3-7-8(6)5-9(7)10;/h1-5H,(H,11,12,13);1H3
InChIKeyUUVJSZRTWYAQTF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.11
Rot. Bonds1

About azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid

azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid (PubChem CID 174609443) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid.

Molecular Properties

Compound Nameazane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
PubChem CID174609443
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Nameazane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
SMILESN.O=S(=O)(O)c1cc2cccc3c1C=c23
InChIInChI=1S/C10H6O3S.H3N/c11-14(12,13)10-4-6-2-1-3-7-8(6)5-9(7)10;/h1-5H,(H,11,12,13);1H3
InChIKeyUUVJSZRTWYAQTF-UHFFFAOYSA-N
XLogP1.11
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid?
The IUPAC name of azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid (CID 174609443) is azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid.
What is the SMILES notation for azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid?
The canonical SMILES for azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid is N.O=S(=O)(O)c1cc2cccc3c1C=c23.
What is the InChIKey of azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid?
The InChIKey is UUVJSZRTWYAQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3S.H3N/c11-14(12,13)10-4-6-2-1-3-7-8(6)5-9(7)10;/h1-5H,(H,11,12,13);1H3.
What are the key properties of azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid?
azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid has a molecular weight of 223.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid is sourced from PubChem (CID 174609443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).