2-amino-3-hydroxybenzenesulfonic acid

C6H7NO4S — CID 23044458

IUPAC2-amino-3-hydroxybenzenesulfonic acid
SMILESNc1c(O)cccc1S(=O)(=O)O
InChIInChI=1S/C6H7NO4S/c7-6-4(8)2-1-3-5(6)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChIKeyWAPRMAKDPQYODC-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.22
Rot. Bonds1

About 2-amino-3-hydroxybenzenesulfonic acid

2-amino-3-hydroxybenzenesulfonic acid (PubChem CID 23044458) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-amino-3-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybenzenesulfonic acid
PubChem CID23044458
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Name2-amino-3-hydroxybenzenesulfonic acid
SMILESNc1c(O)cccc1S(=O)(=O)O
InChIInChI=1S/C6H7NO4S/c7-6-4(8)2-1-3-5(6)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChIKeyWAPRMAKDPQYODC-UHFFFAOYSA-N
XLogP0.22
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybenzenesulfonic acid?
The IUPAC name of 2-amino-3-hydroxybenzenesulfonic acid (CID 23044458) is 2-amino-3-hydroxybenzenesulfonic acid.
What is the SMILES notation for 2-amino-3-hydroxybenzenesulfonic acid?
The canonical SMILES for 2-amino-3-hydroxybenzenesulfonic acid is Nc1c(O)cccc1S(=O)(=O)O.
What is the InChIKey of 2-amino-3-hydroxybenzenesulfonic acid?
The InChIKey is WAPRMAKDPQYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c7-6-4(8)2-1-3-5(6)12(9,10)11/h1-3,8H,7H2,(H,9,10,11).
What are the key properties of 2-amino-3-hydroxybenzenesulfonic acid?
2-amino-3-hydroxybenzenesulfonic acid has a molecular weight of 189.19 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybenzenesulfonic acid is sourced from PubChem (CID 23044458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).