3-amino-5-hydroxybenzenesulfonic acid

C6H7NO4S — CID 19969116

IUPAC3-amino-5-hydroxybenzenesulfonic acid
SMILESNc1cc(O)cc(S(=O)(=O)O)c1
InChIInChI=1S/C6H7NO4S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChIKeySHCTVTZAVRBWEL-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.22
Rot. Bonds1

About 3-amino-5-hydroxybenzenesulfonic acid

3-amino-5-hydroxybenzenesulfonic acid (PubChem CID 19969116) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is 3-amino-5-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Name3-amino-5-hydroxybenzenesulfonic acid
PubChem CID19969116
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Name3-amino-5-hydroxybenzenesulfonic acid
SMILESNc1cc(O)cc(S(=O)(=O)O)c1
InChIInChI=1S/C6H7NO4S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChIKeySHCTVTZAVRBWEL-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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 159296954
CID 159296954
CID 131877005
CID 131877005
azane;3-hydroxy-5-methylbenzenesulfonic acid
CID 131888461
3-hydroxy-5-sulfobenzoic acid;dihydrate
CID 133109316
3-aminobenzenesulfonic acid;azane
CID 173113808
bis(3-aminobenzenesulfonic acid);sulfane
CID 175800902
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
3-amino-5-chloro-4-hydroxybenzenesulfonic acid
CID 22133
4-amino-3,5-diiodobenzenesulfonic acid
CID 46707047
4,5,7-trihydroxynaphthalene-2-sulfonic acid
CID 82254474
3,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174647356
4-aminobenzenesulfonic acid;copper
CID 174792931

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-hydroxybenzenesulfonic acid?
The IUPAC name of 3-amino-5-hydroxybenzenesulfonic acid (CID 19969116) is 3-amino-5-hydroxybenzenesulfonic acid.
What is the SMILES notation for 3-amino-5-hydroxybenzenesulfonic acid?
The canonical SMILES for 3-amino-5-hydroxybenzenesulfonic acid is Nc1cc(O)cc(S(=O)(=O)O)c1.
What is the InChIKey of 3-amino-5-hydroxybenzenesulfonic acid?
The InChIKey is SHCTVTZAVRBWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3,8H,7H2,(H,9,10,11).
What are the key properties of 3-amino-5-hydroxybenzenesulfonic acid?
3-amino-5-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 3-amino-5-hydroxybenzenesulfonic acid is sourced from PubChem (CID 19969116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).