2-(furan-2-yl)benzene-1,3-disulfonic acid

C10H8O7S2 — CID 173303162

IUPAC2-(furan-2-yl)benzene-1,3-disulfonic acid
SMILESO=S(=O)(O)c1cccc(S(=O)(=O)O)c1-c1ccco1
InChIInChI=1S/C10H8O7S2/c11-18(12,13)8-4-1-5-9(19(14,15)16)10(8)7-3-2-6-17-7/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyFLZLGHXRLDJFHU-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.44
Rot. Bonds3

About 2-(furan-2-yl)benzene-1,3-disulfonic acid

2-(furan-2-yl)benzene-1,3-disulfonic acid (PubChem CID 173303162) has the molecular formula C10H8O7S2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(furan-2-yl)benzene-1,3-disulfonic acid.

Molecular Properties

Compound Name2-(furan-2-yl)benzene-1,3-disulfonic acid
PubChem CID173303162
Molecular FormulaC10H8O7S2
Molecular Weight304.30 g/mol
Exact Mass303.97
IUPAC Name2-(furan-2-yl)benzene-1,3-disulfonic acid
SMILESO=S(=O)(O)c1cccc(S(=O)(=O)O)c1-c1ccco1
InChIInChI=1S/C10H8O7S2/c11-18(12,13)8-4-1-5-9(19(14,15)16)10(8)7-3-2-6-17-7/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyFLZLGHXRLDJFHU-UHFFFAOYSA-N
XLogP1.44
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.44
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 2-(furan-2-yl)benzene-1,3-disulfonic acid?
The IUPAC name of 2-(furan-2-yl)benzene-1,3-disulfonic acid (CID 173303162) is 2-(furan-2-yl)benzene-1,3-disulfonic acid.
What is the SMILES notation for 2-(furan-2-yl)benzene-1,3-disulfonic acid?
The canonical SMILES for 2-(furan-2-yl)benzene-1,3-disulfonic acid is O=S(=O)(O)c1cccc(S(=O)(=O)O)c1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)benzene-1,3-disulfonic acid?
The InChIKey is FLZLGHXRLDJFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O7S2/c11-18(12,13)8-4-1-5-9(19(14,15)16)10(8)7-3-2-6-17-7/h1-6H,(H,11,12,13)(H,14,15,16).
What are the key properties of 2-(furan-2-yl)benzene-1,3-disulfonic acid?
2-(furan-2-yl)benzene-1,3-disulfonic acid has a molecular weight of 304.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)benzene-1,3-disulfonic acid is sourced from PubChem (CID 173303162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).