N-(2,2-difluorocyclopropyl)propane-2-sulfonamide

C6H11F2NO2S — CID 170176065

IUPACN-(2,2-difluorocyclopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC1(F)F
InChIInChI=1S/C6H11F2NO2S/c1-4(2)12(10,11)9-5-3-6(5,7)8/h4-5,9H,3H2,1-2H3
InChIKeyJSNYJJAXBSRVGX-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.72
Rot. Bonds3

About N-(2,2-difluorocyclopropyl)propane-2-sulfonamide

N-(2,2-difluorocyclopropyl)propane-2-sulfonamide (PubChem CID 170176065) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)propane-2-sulfonamide
PubChem CID170176065
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(2,2-difluorocyclopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC1(F)F
InChIInChI=1S/C6H11F2NO2S/c1-4(2)12(10,11)9-5-3-6(5,7)8/h4-5,9H,3H2,1-2H3
InChIKeyJSNYJJAXBSRVGX-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-(2,2-difluorocyclopropyl)propane-2-sulfonamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)propane-2-sulfonamide (CID 170176065) is N-(2,2-difluorocyclopropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)propane-2-sulfonamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclopropyl)propane-2-sulfonamide?
The InChIKey is JSNYJJAXBSRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-4(2)12(10,11)9-5-3-6(5,7)8/h4-5,9H,3H2,1-2H3.
What are the key properties of N-(2,2-difluorocyclopropyl)propane-2-sulfonamide?
N-(2,2-difluorocyclopropyl)propane-2-sulfonamide 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-(2,2-difluorocyclopropyl)propane-2-sulfonamide is sourced from PubChem (CID 170176065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).