sodium 3-sulfonaphthalen-1-olate

C10H7NaO4S — CID 101310118

IUPACsodium 3-sulfonaphthalen-1-olate
SMILESO=S(=O)(O)c1cc([O-])c2ccccc2c1.[Na+]
InChIInChI=1S/C10H8O4S.Na/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKeyIINOGGDSBSTVTO-UHFFFAOYSA-M
MW246.22 g/mol
LogP-1.84
Rot. Bonds1

About sodium 3-sulfonaphthalen-1-olate

sodium 3-sulfonaphthalen-1-olate (PubChem CID 101310118) has the molecular formula C10H7NaO4S and a molecular weight of 246.22 g/mol. Its IUPAC name is sodium 3-sulfonaphthalen-1-olate.

Molecular Properties

Compound Namesodium 3-sulfonaphthalen-1-olate
PubChem CID101310118
Molecular FormulaC10H7NaO4S
Molecular Weight246.22 g/mol
Exact Mass246.00
IUPAC Namesodium 3-sulfonaphthalen-1-olate
SMILESO=S(=O)(O)c1cc([O-])c2ccccc2c1.[Na+]
InChIInChI=1S/C10H8O4S.Na/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKeyIINOGGDSBSTVTO-UHFFFAOYSA-M
XLogP-1.84
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoronaphthalene-2-sulfonic acid
CID 56841923
4-methylnaphthalene-2-sulfonic acid
CID 15706019
6-amino-3-sulfonaphthalen-1-olate
CID 163421905
CID 88530425
CID 88530425
naphthalene-2-sulfonic acid
CID 8420
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
sodium;hydride;4-propylnaphthalene-2-sulfonic acid
CID 173430311
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
tetracene-2-sulfonic acid
CID 21483873
10-methoxyanthracene-2-sulfonic acid
CID 18779959
Dispersing Agent NNO
CID 156594502

Frequently Asked Questions

What is the IUPAC name of sodium 3-sulfonaphthalen-1-olate?
The IUPAC name of sodium 3-sulfonaphthalen-1-olate (CID 101310118) is sodium 3-sulfonaphthalen-1-olate.
What is the SMILES notation for sodium 3-sulfonaphthalen-1-olate?
The canonical SMILES for sodium 3-sulfonaphthalen-1-olate is O=S(=O)(O)c1cc([O-])c2ccccc2c1.[Na+].
What is the InChIKey of sodium 3-sulfonaphthalen-1-olate?
The InChIKey is IINOGGDSBSTVTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S.Na/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10;/h1-6,11H,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 3-sulfonaphthalen-1-olate?
sodium 3-sulfonaphthalen-1-olate has a molecular weight of 246.22 g/mol, XLogP of -1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-sulfonaphthalen-1-olate is sourced from PubChem (CID 101310118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).