N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide

C10H11F2NO3S — CID 94274867

IUPACN-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3S/c1-2-17(15,16)13-6-10(14)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyQXZPOBKVAXJGAG-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide

N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide (PubChem CID 94274867) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide
PubChem CID94274867
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC NameN-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3S/c1-2-17(15,16)13-6-10(14)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyQXZPOBKVAXJGAG-UHFFFAOYSA-N
XLogP1.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide 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-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide (CID 94274867) is N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide is CCS(=O)(=O)NCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide?
The InChIKey is QXZPOBKVAXJGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-2-17(15,16)13-6-10(14)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3.
What are the key properties of N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide?
N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide has a molecular weight of 263.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 94274867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).