4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride

C8H13ClN2O3S — CID 3024163

IUPAC4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(N)c(O)c1.Cl
InChIInChI=1S/C8H12N2O3S.ClH/c1-10(2)14(12,13)6-3-4-7(9)8(11)5-6;/h3-5,11H,9H2,1-2H3;1H
InChIKeyQJOZXGDAAUQZEY-UHFFFAOYSA-N
MW252.72 g/mol
LogP0.65
Rot. Bonds2

About 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride

4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 3024163) has the molecular formula C8H13ClN2O3S and a molecular weight of 252.72 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
PubChem CID3024163
Molecular FormulaC8H13ClN2O3S
Molecular Weight252.72 g/mol
Exact Mass252.03
IUPAC Name4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(N)c(O)c1.Cl
InChIInChI=1S/C8H12N2O3S.ClH/c1-10(2)14(12,13)6-3-4-7(9)8(11)5-6;/h3-5,11H,9H2,1-2H3;1H
InChIKeyQJOZXGDAAUQZEY-UHFFFAOYSA-N
XLogP0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;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

5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
CID 165003603
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-tert-butylsulfanyl-N,N-dimethylbenzenesulfonamide
CID 82900902
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
4-amino-3-(3-hydroxypropoxy)-N,N-dimethylbenzenesulfonamide
CID 82901321
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-3-(3-hydroxypropylsulfanyl)-N,N-dimethylbenzenesulfonamide
CID 82900541
4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide
CID 168524863
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride (CID 3024163) is 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(N)c(O)c1.Cl.
What is the InChIKey of 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is QJOZXGDAAUQZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S.ClH/c1-10(2)14(12,13)6-3-4-7(9)8(11)5-6;/h3-5,11H,9H2,1-2H3;1H.
What are the key properties of 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride?
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 252.72 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 3024163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).