N-fluoroprop-2-ene-1-sulfonamide

C3H6FNO2S — CID 87784056

IUPACN-fluoroprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NF
InChIInChI=1S/C3H6FNO2S/c1-2-3-8(6,7)5-4/h2,5H,1,3H2
InChIKeyKINCDCHDMSGHSR-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.02
Rot. Bonds3

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

N-fluoroprop-2-ene-1-sulfonamide (PubChem CID 87784056) has the molecular formula C3H6FNO2S and a molecular weight of 139.15 g/mol. Its IUPAC name is N-fluoroprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-fluoroprop-2-ene-1-sulfonamide
PubChem CID87784056
Molecular FormulaC3H6FNO2S
Molecular Weight139.15 g/mol
Exact Mass139.01
IUPAC NameN-fluoroprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NF
InChIInChI=1S/C3H6FNO2S/c1-2-3-8(6,7)5-4/h2,5H,1,3H2
InChIKeyKINCDCHDMSGHSR-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoroprop-2-ene-1-sulfonamide?
The IUPAC name of N-fluoroprop-2-ene-1-sulfonamide (CID 87784056) is N-fluoroprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-fluoroprop-2-ene-1-sulfonamide?
The canonical SMILES for N-fluoroprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NF.
What is the InChIKey of N-fluoroprop-2-ene-1-sulfonamide?
The InChIKey is KINCDCHDMSGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2S/c1-2-3-8(6,7)5-4/h2,5H,1,3H2.
What are the key properties of N-fluoroprop-2-ene-1-sulfonamide?
N-fluoroprop-2-ene-1-sulfonamide has a molecular weight of 139.15 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoroprop-2-ene-1-sulfonamide is sourced from PubChem (CID 87784056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).