8-hydroxypyrene-1-sulfonic acid

C16H10O4S — CID 87461805

IUPAC8-hydroxypyrene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccc3ccc(O)c4ccc1c2c34
InChIInChI=1S/C16H10O4S/c17-13-7-3-9-1-2-10-4-8-14(21(18,19)20)12-6-5-11(13)15(9)16(10)12/h1-8,17H,(H,18,19,20)
InChIKeyQJSGUDPYOJONDR-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.54
Rot. Bonds1

About 8-hydroxypyrene-1-sulfonic acid

8-hydroxypyrene-1-sulfonic acid (PubChem CID 87461805) has the molecular formula C16H10O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 8-hydroxypyrene-1-sulfonic acid.

Molecular Properties

Compound Name8-hydroxypyrene-1-sulfonic acid
PubChem CID87461805
Molecular FormulaC16H10O4S
Molecular Weight298.32 g/mol
Exact Mass298.03
IUPAC Name8-hydroxypyrene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccc3ccc(O)c4ccc1c2c34
InChIInChI=1S/C16H10O4S/c17-13-7-3-9-1-2-10-4-8-14(21(18,19)20)12-6-5-11(13)15(9)16(10)12/h1-8,17H,(H,18,19,20)
InChIKeyQJSGUDPYOJONDR-UHFFFAOYSA-N
XLogP3.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethene;pyrene-1-sulfonic acid
CID 157123261
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
3-aminopyrene-1,2,6-trisulfonic acid
CID 174778562
CID 87275188
CID 87275188
CID 86743193
CID 86743193
disodium;hydride;perylene-3,10-disulfonic acid
CID 173363289
perylene-3,4,9,10-tetrasulfonic acid
CID 101082081
CID 137242223
CID 137242223
6-methylpyren-1-ol
CID 59779494
6-[(6-sulfopyren-1-yl)amino]hexanoic acid
CID 86619240
6-diazo-7H-pyrene-1-sulfonic acid
CID 158094636

Frequently Asked Questions

What is the IUPAC name of 8-hydroxypyrene-1-sulfonic acid?
The IUPAC name of 8-hydroxypyrene-1-sulfonic acid (CID 87461805) is 8-hydroxypyrene-1-sulfonic acid.
What is the SMILES notation for 8-hydroxypyrene-1-sulfonic acid?
The canonical SMILES for 8-hydroxypyrene-1-sulfonic acid is O=S(=O)(O)c1ccc2ccc3ccc(O)c4ccc1c2c34.
What is the InChIKey of 8-hydroxypyrene-1-sulfonic acid?
The InChIKey is QJSGUDPYOJONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4S/c17-13-7-3-9-1-2-10-4-8-14(21(18,19)20)12-6-5-11(13)15(9)16(10)12/h1-8,17H,(H,18,19,20).
What are the key properties of 8-hydroxypyrene-1-sulfonic acid?
8-hydroxypyrene-1-sulfonic acid has a molecular weight of 298.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxypyrene-1-sulfonic acid is sourced from PubChem (CID 87461805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).