2-amino-5-bromo-3-hydroxybenzenesulfonic acid

C6H6BrNO4S — CID 71375241

IUPAC2-amino-5-bromo-3-hydroxybenzenesulfonic acid
SMILESNc1c(O)cc(Br)cc1S(=O)(=O)O
InChIInChI=1S/C6H6BrNO4S/c7-3-1-4(9)6(8)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)
InChIKeyAPLNSJCHZFPIGI-UHFFFAOYSA-N
MW268.09 g/mol
LogP0.98
Rot. Bonds1

About 2-amino-5-bromo-3-hydroxybenzenesulfonic acid

2-amino-5-bromo-3-hydroxybenzenesulfonic acid (PubChem CID 71375241) has the molecular formula C6H6BrNO4S and a molecular weight of 268.09 g/mol. Its IUPAC name is 2-amino-5-bromo-3-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Name2-amino-5-bromo-3-hydroxybenzenesulfonic acid
PubChem CID71375241
Molecular FormulaC6H6BrNO4S
Molecular Weight268.09 g/mol
Exact Mass266.92
IUPAC Name2-amino-5-bromo-3-hydroxybenzenesulfonic acid
SMILESNc1c(O)cc(Br)cc1S(=O)(=O)O
InChIInChI=1S/C6H6BrNO4S/c7-3-1-4(9)6(8)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)
InChIKeyAPLNSJCHZFPIGI-UHFFFAOYSA-N
XLogP0.98
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 50.98
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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Related Compounds

3,4,6-triamino-5-hydroxynaphthalene-2,7-disulfonic acid
CID 71374363
2-amino-5-bromo-3-cyclopent-2-en-1-ylbenzenesulfonic acid
CID 18931665
3,6-diamino-2,4-dihydroxybenzenesulfonic acid
CID 170458398
2-amino-5-bromo-3-(3-formylphenyl)benzenesulfonic acid
CID 18931678
CID 173398336
CID 173398336
3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid
CID 143063605
4-amino-3-hydroxynaphthalene-1,5-disulfonic acid
CID 19768160
CID 159749157
CID 159749157
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
2,3-diamino-5-methylbenzenesulfonic acid
CID 140869924
2-amino-5-bromo-3-methoxyphenol
CID 131595418
2,3,5-tribromobenzenesulfonamide
CID 119009314

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-hydroxybenzenesulfonic acid?
The IUPAC name of 2-amino-5-bromo-3-hydroxybenzenesulfonic acid (CID 71375241) is 2-amino-5-bromo-3-hydroxybenzenesulfonic acid.
What is the SMILES notation for 2-amino-5-bromo-3-hydroxybenzenesulfonic acid?
The canonical SMILES for 2-amino-5-bromo-3-hydroxybenzenesulfonic acid is Nc1c(O)cc(Br)cc1S(=O)(=O)O.
What is the InChIKey of 2-amino-5-bromo-3-hydroxybenzenesulfonic acid?
The InChIKey is APLNSJCHZFPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO4S/c7-3-1-4(9)6(8)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12).
What are the key properties of 2-amino-5-bromo-3-hydroxybenzenesulfonic acid?
2-amino-5-bromo-3-hydroxybenzenesulfonic acid has a molecular weight of 268.09 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-hydroxybenzenesulfonic acid is sourced from PubChem (CID 71375241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).