N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide

C12H16FNO5S — CID 19422965

IUPACN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
SMILESCS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)CO)cc1
InChIInChI=1S/C12H16FNO5S/c1-20(18,19)9-4-2-8(3-5-9)12(17)10(6-13)14-11(16)7-15/h2-5,10,12,15,17H,6-7H2,1H3,(H,14,16)
InChIKeyVREXTXXIYOPBFV-UHFFFAOYSA-N
MW305.33 g/mol
LogP-0.43
Rot. Bonds6

About N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide

N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide (PubChem CID 19422965) has the molecular formula C12H16FNO5S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
PubChem CID19422965
Molecular FormulaC12H16FNO5S
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC NameN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
SMILESCS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)CO)cc1
InChIInChI=1S/C12H16FNO5S/c1-20(18,19)9-4-2-8(3-5-9)12(17)10(6-13)14-11(16)7-15/h2-5,10,12,15,17H,6-7H2,1H3,(H,14,16)
InChIKeyVREXTXXIYOPBFV-UHFFFAOYSA-N
XLogP-0.43
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide (CID 19422965) is N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide is CS(=O)(=O)c1ccc(C(O)C(CF)NC(=O)CO)cc1.
What is the InChIKey of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
The InChIKey is VREXTXXIYOPBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S/c1-20(18,19)9-4-2-8(3-5-9)12(17)10(6-13)14-11(16)7-15/h2-5,10,12,15,17H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide has a molecular weight of 305.33 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 19422965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).