N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide

C5H8F3NO2S — CID 102316638

IUPACN-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
SMILESC/C=C\CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-2-3-4-9-12(10,11)5(6,7)8/h2-3,9H,4H2,1H3/b3-2-
InChIKeyPXGHQARCDCWPRI-IHWYPQMZSA-N
MW203.19 g/mol
LogP1.00
Rot. Bonds3

About N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide

N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 102316638) has the molecular formula C5H8F3NO2S and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID102316638
Molecular FormulaC5H8F3NO2S
Molecular Weight203.19 g/mol
Exact Mass203.02
IUPAC NameN-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
SMILESC/C=C\CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-2-3-4-9-12(10,11)5(6,7)8/h2-3,9H,4H2,1H3/b3-2-
InChIKeyPXGHQARCDCWPRI-IHWYPQMZSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.00
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

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propen-1-yl-
CID 170402
N-Allylmethanesulfonamide
CID 4675024
1,1,1-Trifluoro-N-(prop-2-en-1-yl)methanesulfonamide
CID 58819198
N-but-3-enyl-1,1,1-trifluoromethanesulfonamide
CID 116033626
N-[(E)-2-Butenyl]trifluoromethanesulfonamide
CID 89694358
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 129294982
1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide
CID 129294985
N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294987
1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide
CID 129294989
N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294993
Dimethyl(prop-2-enyl)azanium;trifluoromethanesulfonate
CID 141351011

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide (CID 102316638) is N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide is C/C=C\CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PXGHQARCDCWPRI-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-2-3-4-9-12(10,11)5(6,7)8/h2-3,9H,4H2,1H3/b3-2-.
What are the key properties of N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide?
N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 203.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 102316638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).