1-fluoroprop-2-ene-1-sulfonamide

C3H6FNO2S — CID 87334843

IUPAC1-fluoroprop-2-ene-1-sulfonamide
SMILESC=CC(F)S(N)(=O)=O
InChIInChI=1S/C3H6FNO2S/c1-2-3(4)8(5,6)7/h2-3H,1H2,(H2,5,6,7)
InChIKeyZNSKKFYOTKJOOV-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.24
Rot. Bonds2

About 1-fluoroprop-2-ene-1-sulfonamide

1-fluoroprop-2-ene-1-sulfonamide (PubChem CID 87334843) has the molecular formula C3H6FNO2S and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-fluoroprop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1-fluoroprop-2-ene-1-sulfonamide
PubChem CID87334843
Molecular FormulaC3H6FNO2S
Molecular Weight139.15 g/mol
Exact Mass139.01
IUPAC Name1-fluoroprop-2-ene-1-sulfonamide
SMILESC=CC(F)S(N)(=O)=O
InChIInChI=1S/C3H6FNO2S/c1-2-3(4)8(5,6)7/h2-3H,1H2,(H2,5,6,7)
InChIKeyZNSKKFYOTKJOOV-UHFFFAOYSA-N
XLogP-0.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.24
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 1-fluoroprop-2-ene-1-sulfonamide?
The IUPAC name of 1-fluoroprop-2-ene-1-sulfonamide (CID 87334843) is 1-fluoroprop-2-ene-1-sulfonamide.
What is the SMILES notation for 1-fluoroprop-2-ene-1-sulfonamide?
The canonical SMILES for 1-fluoroprop-2-ene-1-sulfonamide is C=CC(F)S(N)(=O)=O.
What is the InChIKey of 1-fluoroprop-2-ene-1-sulfonamide?
The InChIKey is ZNSKKFYOTKJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2S/c1-2-3(4)8(5,6)7/h2-3H,1H2,(H2,5,6,7).
What are the key properties of 1-fluoroprop-2-ene-1-sulfonamide?
1-fluoroprop-2-ene-1-sulfonamide has a molecular weight of 139.15 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroprop-2-ene-1-sulfonamide is sourced from PubChem (CID 87334843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).