N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide

C11H13F2NO3S — CID 144654377

IUPACN-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide
SMILESCC(=O)NC(C)(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C11H13F2NO3S/c1-7(15)14-11(2,18(3,16)17)8-4-5-9(12)10(13)6-8/h4-6H,1-3H3,(H,14,15)
InChIKeyDBWZDHPSAFUQFF-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.32
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide

N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide (PubChem CID 144654377) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide
PubChem CID144654377
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC NameN-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide
SMILESCC(=O)NC(C)(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C11H13F2NO3S/c1-7(15)14-11(2,18(3,16)17)8-4-5-9(12)10(13)6-8/h4-6H,1-3H3,(H,14,15)
InChIKeyDBWZDHPSAFUQFF-UHFFFAOYSA-N
XLogP1.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide 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

3-[2-[1-(3,4-Difluorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
CID 42936101
3-[2-[1-(2,5-Difluorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
CID 45834393
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide
CID 47207407
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 51080764
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-4-methylsulfonylbutanamide
CID 71920189
3-methylsulfonyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 71930735
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
CID 71970756
3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide
CID 71998915
2-cyclopentylsulfonyl-N-[1-(2,5-difluorophenyl)propyl]acetamide
CID 72004086
N-[2-(3-fluorophenyl)propan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 72008588
N-[2-(3-methylphenyl)propan-2-yl]-3-methylsulfonylpropanamide
CID 72009293
N-[2-(3-methylphenyl)propan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 72009294

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide (CID 144654377) is N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide is CC(=O)NC(C)(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide?
The InChIKey is DBWZDHPSAFUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-7(15)14-11(2,18(3,16)17)8-4-5-9(12)10(13)6-8/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide?
N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide has a molecular weight of 277.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide is sourced from PubChem (CID 144654377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).