1-[4-(4-aminophenyl)sulfonylanilino]ethanol

C14H16N2O3S — CID 23067525

IUPAC1-[4-(4-aminophenyl)sulfonylanilino]ethanol
SMILESCC(O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-10,16-17H,15H2,1H3
InChIKeyANNYJFZIUXQZFZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds4

About 1-[4-(4-aminophenyl)sulfonylanilino]ethanol

1-[4-(4-aminophenyl)sulfonylanilino]ethanol (PubChem CID 23067525) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)sulfonylanilino]ethanol.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)sulfonylanilino]ethanol
PubChem CID23067525
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-[4-(4-aminophenyl)sulfonylanilino]ethanol
SMILESCC(O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-10,16-17H,15H2,1H3
InChIKeyANNYJFZIUXQZFZ-UHFFFAOYSA-N
XLogP1.85
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[4-(4-aminophenyl)sulfonylanilino]ethanol 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

2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 24838174
4-[4-(methylamino)phenyl]sulfonylaniline
CID 504062
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol
CID 171439817
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
2-amino-4-(1-hydroxyethylamino)benzenesulfonic acid
CID 88827678
N-[1-(4-aminoanilino)ethyl]ethanesulfonamide
CID 151450689
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)sulfonylanilino]ethanol?
The IUPAC name of 1-[4-(4-aminophenyl)sulfonylanilino]ethanol (CID 23067525) is 1-[4-(4-aminophenyl)sulfonylanilino]ethanol.
What is the SMILES notation for 1-[4-(4-aminophenyl)sulfonylanilino]ethanol?
The canonical SMILES for 1-[4-(4-aminophenyl)sulfonylanilino]ethanol is CC(O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)sulfonylanilino]ethanol?
The InChIKey is ANNYJFZIUXQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-10,16-17H,15H2,1H3.
What are the key properties of 1-[4-(4-aminophenyl)sulfonylanilino]ethanol?
1-[4-(4-aminophenyl)sulfonylanilino]ethanol has a molecular weight of 292.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)sulfonylanilino]ethanol is sourced from PubChem (CID 23067525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).