N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide

C10H13F2NO2S — CID 62304575

IUPACN-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-2-16(14,15)13-4-3-8-5-9(11)7-10(12)6-8/h5-7,13H,2-4H2,1H3
InChIKeyNGSMFURFEKDFMK-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide

N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide (PubChem CID 62304575) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
PubChem CID62304575
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-2-16(14,15)13-4-3-8-5-9(11)7-10(12)6-8/h5-7,13H,2-4H2,1H3
InChIKeyNGSMFURFEKDFMK-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide (CID 62304575) is N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide?
The InChIKey is NGSMFURFEKDFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-2-16(14,15)13-4-3-8-5-9(11)7-10(12)6-8/h5-7,13H,2-4H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide?
N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide has a molecular weight of 249.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 62304575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).