4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H15FN2O3S — CID 82845702

IUPAC4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H15FN2O3S/c15-13-9-12(5-6-14(13)16)21(19,20)17-8-7-10-1-3-11(18)4-2-10/h1-6,9,17-18H,7-8,16H2
InChIKeyMGTJMVXYVFJWDL-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.63
Rot. Bonds5

About 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 82845702) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID82845702
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H15FN2O3S/c15-13-9-12(5-6-14(13)16)21(19,20)17-8-7-10-1-3-11(18)4-2-10/h1-6,9,17-18H,7-8,16H2
InChIKeyMGTJMVXYVFJWDL-UHFFFAOYSA-N
XLogP1.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide 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-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 61239053
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 82845702) is 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is MGTJMVXYVFJWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-13-9-12(5-6-14(13)16)21(19,20)17-8-7-10-1-3-11(18)4-2-10/h1-6,9,17-18H,7-8,16H2.
What are the key properties of 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 82845702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).