1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide

C6H9F2NO2S — CID 167273278

IUPAC1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide
SMILESCNS(=O)(=O)C1(C=C(F)F)CC1
InChIInChI=1S/C6H9F2NO2S/c1-9-12(10,11)6(2-3-6)4-5(7)8/h4,9H,2-3H2,1H3
InChIKeyKZZQBWIXQWLMNA-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.85
Rot. Bonds3

About 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide

1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide (PubChem CID 167273278) has the molecular formula C6H9F2NO2S and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide
PubChem CID167273278
Molecular FormulaC6H9F2NO2S
Molecular Weight197.21 g/mol
Exact Mass197.03
IUPAC Name1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide
SMILESCNS(=O)(=O)C1(C=C(F)F)CC1
InChIInChI=1S/C6H9F2NO2S/c1-9-12(10,11)6(2-3-6)4-5(7)8/h4,9H,2-3H2,1H3
InChIKeyKZZQBWIXQWLMNA-UHFFFAOYSA-N
XLogP0.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide (CID 167273278) is 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide is CNS(=O)(=O)C1(C=C(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide?
The InChIKey is KZZQBWIXQWLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2S/c1-9-12(10,11)6(2-3-6)4-5(7)8/h4,9H,2-3H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide?
1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide has a molecular weight of 197.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-N-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 167273278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).