2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid

C14H10O10S3 — CID 173303172

IUPAC2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(-c3ccco3)c(S(=O)(=O)O)c2c1
InChIInChI=1S/C14H10O10S3/c15-25(16,17)9-4-3-8-6-12(26(18,19)20)13(11-2-1-5-24-11)14(10(8)7-9)27(21,22)23/h1-7H,(H,15,16,17)(H,18,19,20)(H,21,22,23)
InChIKeyVDIHUBUVGPYQPV-UHFFFAOYSA-N
MW434.43 g/mol
LogP1.84
Rot. Bonds4

About 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid

2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid (PubChem CID 173303172) has the molecular formula C14H10O10S3 and a molecular weight of 434.43 g/mol. Its IUPAC name is 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid.

Molecular Properties

Compound Name2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid
PubChem CID173303172
Molecular FormulaC14H10O10S3
Molecular Weight434.43 g/mol
Exact Mass433.94
IUPAC Name2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(-c3ccco3)c(S(=O)(=O)O)c2c1
InChIInChI=1S/C14H10O10S3/c15-25(16,17)9-4-3-8-6-12(26(18,19)20)13(11-2-1-5-24-11)14(10(8)7-9)27(21,22)23/h1-7H,(H,15,16,17)(H,18,19,20)(H,21,22,23)
InChIKeyVDIHUBUVGPYQPV-UHFFFAOYSA-N
XLogP1.84
TPSA176.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
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 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid?
The IUPAC name of 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid (CID 173303172) is 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid.
What is the SMILES notation for 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid?
The canonical SMILES for 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid is O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(-c3ccco3)c(S(=O)(=O)O)c2c1.
What is the InChIKey of 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid?
The InChIKey is VDIHUBUVGPYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O10S3/c15-25(16,17)9-4-3-8-6-12(26(18,19)20)13(11-2-1-5-24-11)14(10(8)7-9)27(21,22)23/h1-7H,(H,15,16,17)(H,18,19,20)(H,21,22,23).
What are the key properties of 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid?
2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid has a molecular weight of 434.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)naphthalene-1,3,7-trisulfonic acid is sourced from PubChem (CID 173303172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).