4-amino-N-ethyl-3-hydroxybenzenesulfonamide

C8H12N2O3S — CID 82901390

IUPAC4-amino-N-ethyl-3-hydroxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C8H12N2O3S/c1-2-10-14(12,13)6-3-4-7(9)8(11)5-6/h3-5,10-11H,2,9H2,1H3
InChIKeyZXGTZMLVXTZUOU-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.27
Rot. Bonds3

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

4-amino-N-ethyl-3-hydroxybenzenesulfonamide (PubChem CID 82901390) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-hydroxybenzenesulfonamide
PubChem CID82901390
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name4-amino-N-ethyl-3-hydroxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C8H12N2O3S/c1-2-10-14(12,13)6-3-4-7(9)8(11)5-6/h3-5,10-11H,2,9H2,1H3
InChIKeyZXGTZMLVXTZUOU-UHFFFAOYSA-N
XLogP0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.27
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 4-amino-N-ethyl-3-hydroxybenzenesulfonamide 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

3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
CID 165487001
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 82901626
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
4-amino-N-ethyl-3-(3-hydroxy-2-methylpropyl)sulfanylbenzenesulfonamide
CID 82901263
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-hydroxybenzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-hydroxybenzenesulfonamide (CID 82901390) is 4-amino-N-ethyl-3-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-hydroxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-hydroxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-ethyl-3-hydroxybenzenesulfonamide?
The InChIKey is ZXGTZMLVXTZUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-10-14(12,13)6-3-4-7(9)8(11)5-6/h3-5,10-11H,2,9H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-hydroxybenzenesulfonamide?
4-amino-N-ethyl-3-hydroxybenzenesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 82901390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).