N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide

C6H9F2NO2S — CID 130708853

IUPACN-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CC=CC1)C(F)F
InChIInChI=1S/C6H9F2NO2S/c7-6(8)12(10,11)9-5-3-1-2-4-5/h1-2,5-6,9H,3-4H2
InChIKeyGMGGXZDQMPRKGH-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.85
Rot. Bonds3

About N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide

N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide (PubChem CID 130708853) has the molecular formula C6H9F2NO2S and a molecular weight of 197.21 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide
PubChem CID130708853
Molecular FormulaC6H9F2NO2S
Molecular Weight197.21 g/mol
Exact Mass197.03
IUPAC NameN-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CC=CC1)C(F)F
InChIInChI=1S/C6H9F2NO2S/c7-6(8)12(10,11)9-5-3-1-2-4-5/h1-2,5-6,9H,3-4H2
InChIKeyGMGGXZDQMPRKGH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-iodocyclopent-2-en-1-yl)trifluoromethanesulfonamide
CID 129744610
1,1,1-trifluoro-N-hexa-1,5-dien-3-ylmethanesulfonamide
CID 134875231
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
N-[(1S)-cyclopent-2-en-1-yl]-1,1,1-trifluoromethanesulfonamide
CID 14688667
1,1,1-trifluoro-N-[(1S,5R)-5-methylcyclopent-2-en-1-yl]methanesulfonamide
CID 102591683
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628751
N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide
CID 130628533
N-cyclopent-3-en-1-ylmethanesulfonamide
CID 15419749
N-cyclopent-3-en-1-ylmethanesulfonamide;ethane
CID 167493523
N-cyclopent-2-en-1-ylmethanesulfonamide
CID 14688664
N-[(1S)-cyclopent-2-en-1-yl]methanesulfonamide
CID 14688665
1-bromo-N-cyclopent-3-en-1-ylmethanesulfonamide
CID 104099416

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide (CID 130708853) is N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CC=CC1)C(F)F.
What is the InChIKey of N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide?
The InChIKey is GMGGXZDQMPRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2S/c7-6(8)12(10,11)9-5-3-1-2-4-5/h1-2,5-6,9H,3-4H2.
What are the key properties of N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide?
N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide 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 N-cyclopent-3-en-1-yl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 130708853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).