N-(3,3-difluorocyclobutyl)ethanesulfonamide

C6H11F2NO2S — CID 170187962

IUPACN-(3,3-difluorocyclobutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-2-12(10,11)9-5-3-6(7,8)4-5/h5,9H,2-4H2,1H3
InChIKeyKHSOTECFCFWFQS-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.72
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)ethanesulfonamide

N-(3,3-difluorocyclobutyl)ethanesulfonamide (PubChem CID 170187962) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)ethanesulfonamide
PubChem CID170187962
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(3,3-difluorocyclobutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-2-12(10,11)9-5-3-6(7,8)4-5/h5,9H,2-4H2,1H3
InChIKeyKHSOTECFCFWFQS-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)ethanesulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)ethanesulfonamide (CID 170187962) is N-(3,3-difluorocyclobutyl)ethanesulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)ethanesulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)ethanesulfonamide is CCS(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)ethanesulfonamide?
The InChIKey is KHSOTECFCFWFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-2-12(10,11)9-5-3-6(7,8)4-5/h5,9H,2-4H2,1H3.
What are the key properties of N-(3,3-difluorocyclobutyl)ethanesulfonamide?
N-(3,3-difluorocyclobutyl)ethanesulfonamide has a molecular weight of 199.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)ethanesulfonamide is sourced from PubChem (CID 170187962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).