furan;naphthalene-1,5-disulfonic acid

C14H12O7S2 — CID 174876901

IUPACfuran;naphthalene-1,5-disulfonic acid
SMILESO=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.c1ccoc1
InChIInChI=1S/C10H8O6S2.C4H4O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-2-4-5-3-1/h1-6H,(H,11,12,13)(H,14,15,16);1-4H
InChIKeyLDKRNDPFVKUNMQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.61
Rot. Bonds2

About furan;naphthalene-1,5-disulfonic acid

furan;naphthalene-1,5-disulfonic acid (PubChem CID 174876901) has the molecular formula C14H12O7S2 and a molecular weight of 356.38 g/mol. Its IUPAC name is furan;naphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Namefuran;naphthalene-1,5-disulfonic acid
PubChem CID174876901
Molecular FormulaC14H12O7S2
Molecular Weight356.38 g/mol
Exact Mass356.00
IUPAC Namefuran;naphthalene-1,5-disulfonic acid
SMILESO=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.c1ccoc1
InChIInChI=1S/C10H8O6S2.C4H4O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-2-4-5-3-1/h1-6H,(H,11,12,13)(H,14,15,16);1-4H
InChIKeyLDKRNDPFVKUNMQ-UHFFFAOYSA-N
XLogP2.61
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of furan;naphthalene-1,5-disulfonic acid?
The IUPAC name of furan;naphthalene-1,5-disulfonic acid (CID 174876901) is furan;naphthalene-1,5-disulfonic acid.
What is the SMILES notation for furan;naphthalene-1,5-disulfonic acid?
The canonical SMILES for furan;naphthalene-1,5-disulfonic acid is O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.c1ccoc1.
What is the InChIKey of furan;naphthalene-1,5-disulfonic acid?
The InChIKey is LDKRNDPFVKUNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2.C4H4O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-2-4-5-3-1/h1-6H,(H,11,12,13)(H,14,15,16);1-4H.
What are the key properties of furan;naphthalene-1,5-disulfonic acid?
furan;naphthalene-1,5-disulfonic acid has a molecular weight of 356.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan;naphthalene-1,5-disulfonic acid is sourced from PubChem (CID 174876901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).