azane;4-hydroxybenzenesulfonic acid

C6H9NO4S — CID 3083898

IUPACazane;4-hydroxybenzenesulfonic acid
SMILESN.O=S(=O)(O)c1ccc(O)cc1
InChIInChI=1S/C6H6O4S.H3N/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);1H3
InChIKeyAXUYHJMSEJPTPI-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.80
Rot. Bonds1

About azane;4-hydroxybenzenesulfonic acid

azane;4-hydroxybenzenesulfonic acid (PubChem CID 3083898) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is azane;4-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Nameazane;4-hydroxybenzenesulfonic acid
PubChem CID3083898
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Nameazane;4-hydroxybenzenesulfonic acid
SMILESN.O=S(=O)(O)c1ccc(O)cc1
InChIInChI=1S/C6H6O4S.H3N/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);1H3
InChIKeyAXUYHJMSEJPTPI-UHFFFAOYSA-N
XLogP0.80
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 azane;4-hydroxybenzenesulfonic acid?
The IUPAC name of azane;4-hydroxybenzenesulfonic acid (CID 3083898) is azane;4-hydroxybenzenesulfonic acid.
What is the SMILES notation for azane;4-hydroxybenzenesulfonic acid?
The canonical SMILES for azane;4-hydroxybenzenesulfonic acid is N.O=S(=O)(O)c1ccc(O)cc1.
What is the InChIKey of azane;4-hydroxybenzenesulfonic acid?
The InChIKey is AXUYHJMSEJPTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4S.H3N/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);1H3.
What are the key properties of azane;4-hydroxybenzenesulfonic acid?
azane;4-hydroxybenzenesulfonic acid has a molecular weight of 191.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-hydroxybenzenesulfonic acid is sourced from PubChem (CID 3083898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).