5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid

C20H14O7S2 — CID 174648265

IUPAC5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(Oc3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1
InChIInChI=1S/C20H14O7S2/c21-28(22,23)15-7-9-17-13(11-15)3-1-5-19(17)27-20-6-2-4-14-12-16(29(24,25)26)8-10-18(14)20/h1-12H,(H,21,22,23)(H,24,25,26)
InChIKeyAXNOCYLLOZLSQF-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.28
Rot. Bonds4

About 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid

5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid (PubChem CID 174648265) has the molecular formula C20H14O7S2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
PubChem CID174648265
Molecular FormulaC20H14O7S2
Molecular Weight430.46 g/mol
Exact Mass430.02
IUPAC Name5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(Oc3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1
InChIInChI=1S/C20H14O7S2/c21-28(22,23)15-7-9-17-13(11-15)3-1-5-19(17)27-20-6-2-4-14-12-16(29(24,25)26)8-10-18(14)20/h1-12H,(H,21,22,23)(H,24,25,26)
InChIKeyAXNOCYLLOZLSQF-UHFFFAOYSA-N
XLogP4.28
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,6-disulfonaphthalen-1-yl)oxynaphthalene-2,6-disulfonic acid
CID 167215059
5-(3,4-dicyano-2,5,6-trifluorophenoxy)naphthalene-2-sulfonic acid
CID 169036345
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
5-methylsulfanylnaphthalene-2-sulfonic acid
CID 6611028
10-methoxyanthracene-2-sulfonic acid
CID 18779959
naphthalene-2-sulfonic acid
CID 8420
5-(methylcarbamoyl)naphthalene-2-sulfonic acid
CID 163232980
5-[4-[4-(6,7-disulfonaphthalen-1-yl)oxy-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]naphthalene-2,3-disulfonic acid
CID 121342185
CID 87246277
CID 87246277
tetracene-2-sulfonic acid
CID 21483873

Frequently Asked Questions

What is the IUPAC name of 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid?
The IUPAC name of 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid (CID 174648265) is 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid?
The canonical SMILES for 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2c(Oc3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1.
What is the InChIKey of 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid?
The InChIKey is AXNOCYLLOZLSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O7S2/c21-28(22,23)15-7-9-17-13(11-15)3-1-5-19(17)27-20-6-2-4-14-12-16(29(24,25)26)8-10-18(14)20/h1-12H,(H,21,22,23)(H,24,25,26).
What are the key properties of 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid?
5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid has a molecular weight of 430.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 174648265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).