6-(furan-2-yl)naphthalene-1,3-disulfonate

C14H8O7S2-2 — CID 168525686

IUPAC6-(furan-2-yl)naphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc(-c3ccco3)cc2c1
InChIInChI=1S/C14H10O7S2/c15-22(16,17)11-7-10-6-9(13-2-1-5-21-13)3-4-12(10)14(8-11)23(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)/p-2
InChIKeyGHZLLTPLMDMUTL-UHFFFAOYSA-L
MW352.35 g/mol
LogP1.91
Rot. Bonds3

About 6-(furan-2-yl)naphthalene-1,3-disulfonate

6-(furan-2-yl)naphthalene-1,3-disulfonate (PubChem CID 168525686) has the molecular formula C14H8O7S2-2 and a molecular weight of 352.35 g/mol. Its IUPAC name is 6-(furan-2-yl)naphthalene-1,3-disulfonate.

Molecular Properties

Compound Name6-(furan-2-yl)naphthalene-1,3-disulfonate
PubChem CID168525686
Molecular FormulaC14H8O7S2-2
Molecular Weight352.35 g/mol
Exact Mass351.97
IUPAC Name6-(furan-2-yl)naphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc(-c3ccco3)cc2c1
InChIInChI=1S/C14H10O7S2/c15-22(16,17)11-7-10-6-9(13-2-1-5-21-13)3-4-12(10)14(8-11)23(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)/p-2
InChIKeyGHZLLTPLMDMUTL-UHFFFAOYSA-L
XLogP1.91
TPSA127.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 6-(furan-2-yl)naphthalene-1,3-disulfonate?
The IUPAC name of 6-(furan-2-yl)naphthalene-1,3-disulfonate (CID 168525686) is 6-(furan-2-yl)naphthalene-1,3-disulfonate.
What is the SMILES notation for 6-(furan-2-yl)naphthalene-1,3-disulfonate?
The canonical SMILES for 6-(furan-2-yl)naphthalene-1,3-disulfonate is O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc(-c3ccco3)cc2c1.
What is the InChIKey of 6-(furan-2-yl)naphthalene-1,3-disulfonate?
The InChIKey is GHZLLTPLMDMUTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10O7S2/c15-22(16,17)11-7-10-6-9(13-2-1-5-21-13)3-4-12(10)14(8-11)23(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)/p-2.
What are the key properties of 6-(furan-2-yl)naphthalene-1,3-disulfonate?
6-(furan-2-yl)naphthalene-1,3-disulfonate has a molecular weight of 352.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)naphthalene-1,3-disulfonate is sourced from PubChem (CID 168525686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).