azane;2,4-dihydroxybenzenesulfonic acid

C6H9NO5S — CID 131881093

IUPACazane;2,4-dihydroxybenzenesulfonic acid
SMILESN.O=S(=O)(O)c1ccc(O)cc1O
InChIInChI=1S/C6H6O5S.H3N/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);1H3
InChIKeyJOILQYURMOSQTJ-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.51
Rot. Bonds1

About azane;2,4-dihydroxybenzenesulfonic acid

azane;2,4-dihydroxybenzenesulfonic acid (PubChem CID 131881093) has the molecular formula C6H9NO5S and a molecular weight of 207.21 g/mol. Its IUPAC name is azane;2,4-dihydroxybenzenesulfonic acid.

Molecular Properties

Compound Nameazane;2,4-dihydroxybenzenesulfonic acid
PubChem CID131881093
Molecular FormulaC6H9NO5S
Molecular Weight207.21 g/mol
Exact Mass207.02
IUPAC Nameazane;2,4-dihydroxybenzenesulfonic acid
SMILESN.O=S(=O)(O)c1ccc(O)cc1O
InChIInChI=1S/C6H6O5S.H3N/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);1H3
InChIKeyJOILQYURMOSQTJ-UHFFFAOYSA-N
XLogP0.51
TPSA129.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze azane;2,4-dihydroxybenzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium 2,4-dihydroxybenzenesulfonate
CID 6453214
CID 173398336
CID 173398336
2-cyano-4-hydroxybenzenesulfonic acid
CID 118599761
2-hydroxy-4-(4-sulfophenyl)benzenesulfonic acid
CID 57074202
7-hydroxynaphthalene-1,2-disulfonic acid
CID 101310160
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
potassium;hydride;3-hydroxy-4-sulfobenzoic acid
CID 173217056
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
2-hydroxy-4-isocyanatobenzenesulfonic acid
CID 169354212
4-(4-aminophenyl)sulfonylbenzene-1,3-diol
CID 23274890
2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
CID 17506

Frequently Asked Questions

What is the IUPAC name of azane;2,4-dihydroxybenzenesulfonic acid?
The IUPAC name of azane;2,4-dihydroxybenzenesulfonic acid (CID 131881093) is azane;2,4-dihydroxybenzenesulfonic acid.
What is the SMILES notation for azane;2,4-dihydroxybenzenesulfonic acid?
The canonical SMILES for azane;2,4-dihydroxybenzenesulfonic acid is N.O=S(=O)(O)c1ccc(O)cc1O.
What is the InChIKey of azane;2,4-dihydroxybenzenesulfonic acid?
The InChIKey is JOILQYURMOSQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5S.H3N/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);1H3.
What are the key properties of azane;2,4-dihydroxybenzenesulfonic acid?
azane;2,4-dihydroxybenzenesulfonic acid has a molecular weight of 207.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4-dihydroxybenzenesulfonic acid is sourced from PubChem (CID 131881093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).