N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide

C12H15F2NO3S — CID 47207407

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO3S/c1-3-19(17,18)7-12(16)15-8(2)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyHKOODHUBWPPYNQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.58
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide (PubChem CID 47207407) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide
PubChem CID47207407
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO3S/c1-3-19(17,18)7-12(16)15-8(2)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyHKOODHUBWPPYNQ-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide (CID 47207407) is N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide?
The InChIKey is HKOODHUBWPPYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-3-19(17,18)7-12(16)15-8(2)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide has a molecular weight of 291.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 47207407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).