3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide

C8H12N2O4S — CID 43345879

IUPAC3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCO)ccc1O
InChIInChI=1S/C8H12N2O4S/c9-7-5-6(1-2-8(7)12)15(13,14)10-3-4-11/h1-2,5,10-12H,3-4,9H2
InChIKeyCQBCXMAHDBLHKD-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.75
Rot. Bonds4

About 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide

3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43345879) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43345879
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCO)ccc1O
InChIInChI=1S/C8H12N2O4S/c9-7-5-6(1-2-8(7)12)15(13,14)10-3-4-11/h1-2,5,10-12H,3-4,9H2
InChIKeyCQBCXMAHDBLHKD-UHFFFAOYSA-N
XLogP-0.75
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324481
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
CID 64568806
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide (CID 43345879) is 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCO)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CQBCXMAHDBLHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c9-7-5-6(1-2-8(7)12)15(13,14)10-3-4-11/h1-2,5,10-12H,3-4,9H2.
What are the key properties of 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 232.26 g/mol, XLogP of -0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43345879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).