(2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide

C5H8F3NO2S — CID 130367434

IUPAC(2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide
SMILESC=CC[C@@H](C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H8F3NO2S/c1-2-3-4(5(6,7)8)12(9,10)11/h2,4H,1,3H2,(H2,9,10,11)/t4-/m0/s1
InChIKeyGTRYWINVRSPEIF-BYPYZUCNSA-N
MW203.18 g/mol
LogP0.78
Rot. Bonds3

About (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide

(2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide (PubChem CID 130367434) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide
PubChem CID130367434
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name(2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide
SMILESC=CC[C@@H](C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H8F3NO2S/c1-2-3-4(5(6,7)8)12(9,10)11/h2,4H,1,3H2,(H2,9,10,11)/t4-/m0/s1
InChIKeyGTRYWINVRSPEIF-BYPYZUCNSA-N
XLogP0.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide?
The IUPAC name of (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide (CID 130367434) is (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide.
What is the SMILES notation for (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide?
The canonical SMILES for (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide is C=CC[C@@H](C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide?
The InChIKey is GTRYWINVRSPEIF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-2-3-4(5(6,7)8)12(9,10)11/h2,4H,1,3H2,(H2,9,10,11)/t4-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide?
(2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide has a molecular weight of 203.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoropent-4-ene-2-sulfonamide is sourced from PubChem (CID 130367434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).