N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide

C10H16N2O3S — CID 43461540

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O3S/c1-2-16(14,15)12-7-10(13)8-3-5-9(11)6-4-8/h3-6,10,12-13H,2,7,11H2,1H3
InChIKeyAQWXHXZZCKNXKK-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.24
Rot. Bonds5

About N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide (PubChem CID 43461540) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
PubChem CID43461540
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O3S/c1-2-16(14,15)12-7-10(13)8-3-5-9(11)6-4-8/h3-6,10,12-13H,2,7,11H2,1H3
InChIKeyAQWXHXZZCKNXKK-UHFFFAOYSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide 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

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 112511125
methyl 2-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]propanoate
CID 61458401
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43461531
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 43461535
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-bromothiophene-2-sulfonamide
CID 61457857
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 107335113

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide (CID 43461540) is N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide is CCS(=O)(=O)NCC(O)c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide?
The InChIKey is AQWXHXZZCKNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-16(14,15)12-7-10(13)8-3-5-9(11)6-4-8/h3-6,10,12-13H,2,7,11H2,1H3.
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide is sourced from PubChem (CID 43461540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).