3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride

C8H13ClN2O3S — CID 53432788

IUPAC3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(O)c(N)c1.Cl
InChIInChI=1S/C8H12N2O3S.ClH/c1-2-10-14(12,13)6-3-4-8(11)7(9)5-6;/h3-5,10-11H,2,9H2,1H3;1H
InChIKeyFBFCVECILSRRPQ-UHFFFAOYSA-N
MW252.72 g/mol
LogP0.69
Rot. Bonds3

About 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride

3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride (PubChem CID 53432788) has the molecular formula C8H13ClN2O3S and a molecular weight of 252.72 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
PubChem CID53432788
Molecular FormulaC8H13ClN2O3S
Molecular Weight252.72 g/mol
Exact Mass252.03
IUPAC Name3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(O)c(N)c1.Cl
InChIInChI=1S/C8H12N2O3S.ClH/c1-2-10-14(12,13)6-3-4-8(11)7(9)5-6;/h3-5,10-11H,2,9H2,1H3;1H
InChIKeyFBFCVECILSRRPQ-UHFFFAOYSA-N
XLogP0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 50.69
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'}

Analyze 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
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-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
CID 64568806
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride (CID 53432788) is 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride is CCNS(=O)(=O)c1ccc(O)c(N)c1.Cl.
What is the InChIKey of 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride?
The InChIKey is FBFCVECILSRRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S.ClH/c1-2-10-14(12,13)6-3-4-8(11)7(9)5-6;/h3-5,10-11H,2,9H2,1H3;1H.
What are the key properties of 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride?
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride has a molecular weight of 252.72 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 53432788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).