1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide

C6H11F2NO2S — CID 115628751

IUPAC1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
SMILESC/C=C/CCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO2S/c1-2-3-4-5-9-12(10,11)6(7)8/h2-3,6,9H,4-5H2,1H3/b3-2+
InChIKeyQPGBIUWGSXLERM-NSCUHMNNSA-N
MW199.22 g/mol
LogP1.09
Rot. Bonds5

About 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide

1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide (PubChem CID 115628751) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
PubChem CID115628751
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
SMILESC/C=C/CCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO2S/c1-2-3-4-5-9-12(10,11)6(7)8/h2-3,6,9H,4-5H2,1H3/b3-2+
InChIKeyQPGBIUWGSXLERM-NSCUHMNNSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-1,1,1-trifluoromethanesulfonamide
CID 116033626
N-[(E)-2-Butenyl]trifluoromethanesulfonamide
CID 89694358
N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
CID 91217457
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
1,1,1-trifluoro-N-[(Z)-3-tributylstannylpent-3-enyl]methanesulfonamide
CID 140736166
1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide
CID 154070744
1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide
CID 163881456
1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
CID 91325730
N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
CID 102316638
(E)-N-(2,2,2-trifluoroethylsulfamoyl)pent-3-en-1-amine
CID 114807258
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
CID 115967652
N-but-3-enyl-1,1-difluoromethanesulfonamide
CID 116033660

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide (CID 115628751) is 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide is C/C=C/CCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide?
The InChIKey is QPGBIUWGSXLERM-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-2-3-4-5-9-12(10,11)6(7)8/h2-3,6,9H,4-5H2,1H3/b3-2+.
What are the key properties of 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide?
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide has a molecular weight of 199.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide is sourced from PubChem (CID 115628751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).