sodium azulene-1-sulfonate

C10H7NaO3S — CID 23702350

IUPACsodium azulene-1-sulfonate
SMILESO=S(=O)([O-])c1ccc2cccccc1-2.[Na+]
InChIInChI=1S/C10H8O3S.Na/c11-14(12,13)10-7-6-8-4-2-1-3-5-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKeyFWYFZZHHADLSHQ-UHFFFAOYSA-M
MW230.22 g/mol
LogP-1.30
Rot. Bonds1

About sodium azulene-1-sulfonate

sodium azulene-1-sulfonate (PubChem CID 23702350) has the molecular formula C10H7NaO3S and a molecular weight of 230.22 g/mol. Its IUPAC name is sodium azulene-1-sulfonate.

Molecular Properties

Compound Namesodium azulene-1-sulfonate
PubChem CID23702350
Molecular FormulaC10H7NaO3S
Molecular Weight230.22 g/mol
Exact Mass230.00
IUPAC Namesodium azulene-1-sulfonate
SMILESO=S(=O)([O-])c1ccc2cccccc1-2.[Na+]
InChIInChI=1S/C10H8O3S.Na/c11-14(12,13)10-7-6-8-4-2-1-3-5-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKeyFWYFZZHHADLSHQ-UHFFFAOYSA-M
XLogP-1.30
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
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 sodium azulene-1-sulfonate?
The IUPAC name of sodium azulene-1-sulfonate (CID 23702350) is sodium azulene-1-sulfonate.
What is the SMILES notation for sodium azulene-1-sulfonate?
The canonical SMILES for sodium azulene-1-sulfonate is O=S(=O)([O-])c1ccc2cccccc1-2.[Na+].
What is the InChIKey of sodium azulene-1-sulfonate?
The InChIKey is FWYFZZHHADLSHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.Na/c11-14(12,13)10-7-6-8-4-2-1-3-5-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium azulene-1-sulfonate?
sodium azulene-1-sulfonate has a molecular weight of 230.22 g/mol, XLogP of -1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium azulene-1-sulfonate is sourced from PubChem (CID 23702350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).