N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide

C11H14FNO4S — CID 82181674

IUPACN-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)S(=O)(=O)CCO
InChIInChI=1S/C11H14FNO4S/c1-8(18(16,17)7-6-14)11(15)13-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyMIQLZEJMGCSSNA-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.56
Rot. Bonds5

About N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide

N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide (PubChem CID 82181674) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
PubChem CID82181674
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC NameN-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)S(=O)(=O)CCO
InChIInChI=1S/C11H14FNO4S/c1-8(18(16,17)7-6-14)11(15)13-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyMIQLZEJMGCSSNA-UHFFFAOYSA-N
XLogP0.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide 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-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
2-propylsulfonyl-N-pyridin-4-ylpropanamide
CID 60572366
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
CID 125141054
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 82112843
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide (CID 82181674) is N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide is CC(C(=O)Nc1ccc(F)cc1)S(=O)(=O)CCO.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide?
The InChIKey is MIQLZEJMGCSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-8(18(16,17)7-6-14)11(15)13-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide?
N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide has a molecular weight of 275.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide is sourced from PubChem (CID 82181674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).