2-(2-hydroxyethylamino)benzenesulfonic acid

C8H11NO4S — CID 20512895

IUPAC2-(2-hydroxyethylamino)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1NCCO
InChIInChI=1S/C8H11NO4S/c10-6-5-9-7-3-1-2-4-8(7)14(11,12)13/h1-4,9-10H,5-6H2,(H,11,12,13)
InChIKeyHYYFYPRGIARMJY-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.34
Rot. Bonds4

About 2-(2-hydroxyethylamino)benzenesulfonic acid

2-(2-hydroxyethylamino)benzenesulfonic acid (PubChem CID 20512895) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)benzenesulfonic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)benzenesulfonic acid
PubChem CID20512895
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name2-(2-hydroxyethylamino)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1NCCO
InChIInChI=1S/C8H11NO4S/c10-6-5-9-7-3-1-2-4-8(7)14(11,12)13/h1-4,9-10H,5-6H2,(H,11,12,13)
InChIKeyHYYFYPRGIARMJY-UHFFFAOYSA-N
XLogP0.34
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinylbenzenesulfonic acid;hydrate
CID 87148445
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CID 28978311
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
potassium;2-anilinoethanol;sulfuric acid;hydroxide
CID 67587133
1-(diazonioamino)-2-sulfobenzene
CID 174575505
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-(2-hydroxyethylamino)ethanol;2-prop-2-enylbenzenesulfonic acid
CID 175295342
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid
CID 158141355
3-(2-hydroxyethylamino)benzene-1,2-diol
CID 70502073
2-(2-propan-2-ylanilino)ethanol
CID 28574084
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 55084058

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)benzenesulfonic acid?
The IUPAC name of 2-(2-hydroxyethylamino)benzenesulfonic acid (CID 20512895) is 2-(2-hydroxyethylamino)benzenesulfonic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)benzenesulfonic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)benzenesulfonic acid is O=S(=O)(O)c1ccccc1NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)benzenesulfonic acid?
The InChIKey is HYYFYPRGIARMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c10-6-5-9-7-3-1-2-4-8(7)14(11,12)13/h1-4,9-10H,5-6H2,(H,11,12,13).
What are the key properties of 2-(2-hydroxyethylamino)benzenesulfonic acid?
2-(2-hydroxyethylamino)benzenesulfonic acid has a molecular weight of 217.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)benzenesulfonic acid is sourced from PubChem (CID 20512895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).