2-amino-4-hydroxybenzenesulfonate

C6H6NO4S- — CID 22943018

IUPAC2-amino-4-hydroxybenzenesulfonate
SMILESNc1cc(O)ccc1S(=O)(=O)[O-]
InChIInChI=1S/C6H7NO4S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)/p-1
InChIKeyBYMZHAPPSICVQH-UHFFFAOYSA-M
MW188.18 g/mol
LogP-0.12
Rot. Bonds1

About 2-amino-4-hydroxybenzenesulfonate

2-amino-4-hydroxybenzenesulfonate (PubChem CID 22943018) has the molecular formula C6H6NO4S- and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-amino-4-hydroxybenzenesulfonate.

Molecular Properties

Compound Name2-amino-4-hydroxybenzenesulfonate
PubChem CID22943018
Molecular FormulaC6H6NO4S-
Molecular Weight188.18 g/mol
Exact Mass188.00
IUPAC Name2-amino-4-hydroxybenzenesulfonate
SMILESNc1cc(O)ccc1S(=O)(=O)[O-]
InChIInChI=1S/C6H7NO4S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)/p-1
InChIKeyBYMZHAPPSICVQH-UHFFFAOYSA-M
XLogP-0.12
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-hydroxybenzenesulfonate 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

sodium 2,4-diaminobenzenesulfonate
CID 23678866
azanium 2,4-dihydroxybenzenesulfonate
CID 6453214
aluminum tris(2,4-diaminobenzenesulfonate)
CID 175222789
2,5-dihydroxybenzenesulfonate
CID 3625248
magnesium;bis(2,5-dihydroxybenzenesulfonate);hydrate
CID 141144154
dipotassium;4,6-diaminobenzene-1,3-disulfonate
CID 139977776
tripotassium;5-aminobenzene-1,2,4-trisulfonate
CID 101305566
lithium 2-aminobenzenesulfonate
CID 59248314
disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate
CID 139911100
disodium;2,3-dihydroxybenzene-1,4-disulfonate
CID 15046734
5-hydroxy-2-methylbenzenesulfonate;tetraethylazanium
CID 87657580
4-(4-aminophenyl)sulfonylbenzene-1,3-diol
CID 23274890

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxybenzenesulfonate?
The IUPAC name of 2-amino-4-hydroxybenzenesulfonate (CID 22943018) is 2-amino-4-hydroxybenzenesulfonate.
What is the SMILES notation for 2-amino-4-hydroxybenzenesulfonate?
The canonical SMILES for 2-amino-4-hydroxybenzenesulfonate is Nc1cc(O)ccc1S(=O)(=O)[O-].
What is the InChIKey of 2-amino-4-hydroxybenzenesulfonate?
The InChIKey is BYMZHAPPSICVQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO4S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)/p-1.
What are the key properties of 2-amino-4-hydroxybenzenesulfonate?
2-amino-4-hydroxybenzenesulfonate has a molecular weight of 188.18 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxybenzenesulfonate is sourced from PubChem (CID 22943018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).