N-(2,2-difluoroethyl)cyclopropanesulfonamide

C5H9F2NO2S — CID 88593228

IUPACN-(2,2-difluoroethyl)cyclopropanesulfonamide
SMILESO=S(=O)(NCC(F)F)C1CC1
InChIInChI=1S/C5H9F2NO2S/c6-5(7)3-8-11(9,10)4-1-2-4/h4-5,8H,1-3H2
InChIKeyYKPZOHCYCRJVIK-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.33
Rot. Bonds4

About N-(2,2-difluoroethyl)cyclopropanesulfonamide

N-(2,2-difluoroethyl)cyclopropanesulfonamide (PubChem CID 88593228) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)cyclopropanesulfonamide
PubChem CID88593228
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC NameN-(2,2-difluoroethyl)cyclopropanesulfonamide
SMILESO=S(=O)(NCC(F)F)C1CC1
InChIInChI=1S/C5H9F2NO2S/c6-5(7)3-8-11(9,10)4-1-2-4/h4-5,8H,1-3H2
InChIKeyYKPZOHCYCRJVIK-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)cyclopropanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)cyclopropanesulfonamide (CID 88593228) is N-(2,2-difluoroethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)cyclopropanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)cyclopropanesulfonamide is O=S(=O)(NCC(F)F)C1CC1.
What is the InChIKey of N-(2,2-difluoroethyl)cyclopropanesulfonamide?
The InChIKey is YKPZOHCYCRJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)3-8-11(9,10)4-1-2-4/h4-5,8H,1-3H2.
What are the key properties of N-(2,2-difluoroethyl)cyclopropanesulfonamide?
N-(2,2-difluoroethyl)cyclopropanesulfonamide has a molecular weight of 185.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)cyclopropanesulfonamide is sourced from PubChem (CID 88593228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).