4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide

C10H16N2O3S — CID 43258909

IUPAC4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H16N2O3S/c1-8-7-9(11)3-4-10(8)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6,11H2,1-2H3
InChIKeyQHJOJQWESNYLMD-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.19
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide

4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 43258909) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID43258909
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H16N2O3S/c1-8-7-9(11)3-4-10(8)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6,11H2,1-2H3
InChIKeyQHJOJQWESNYLMD-UHFFFAOYSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide 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-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
4-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997808
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
4-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide (CID 43258909) is 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)N(C)CCO.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is QHJOJQWESNYLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-7-9(11)3-4-10(8)16(14,15)12(2)5-6-13/h3-4,7,13H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 43258909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).