N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide

C12H16FNO4S — CID 87016886

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H16FNO4S/c1-8(19(2,17)18)12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChIKeyVSKVLOBLDMJVJG-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide (PubChem CID 87016886) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
PubChem CID87016886
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H16FNO4S/c1-8(19(2,17)18)12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChIKeyVSKVLOBLDMJVJG-UHFFFAOYSA-N
XLogP0.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119719440
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 78897124
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide (CID 87016886) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide is CC(C(=O)NCC(O)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide?
The InChIKey is VSKVLOBLDMJVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-8(19(2,17)18)12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 87016886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).