1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine

C12H14FNO2S — CID 102093393

IUPAC1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine
SMILESO=S(=O)(/C(F)=C/N1CCCC1)c1ccccc1
InChIInChI=1S/C12H14FNO2S/c13-12(10-14-8-4-5-9-14)17(15,16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/b12-10+
InChIKeyCUSVDEZPADXSIL-ZRDIBKRKSA-N
MW255.31 g/mol
LogP2.32
Rot. Bonds3

About 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine

1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine (PubChem CID 102093393) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine
PubChem CID102093393
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine
SMILESO=S(=O)(/C(F)=C/N1CCCC1)c1ccccc1
InChIInChI=1S/C12H14FNO2S/c13-12(10-14-8-4-5-9-14)17(15,16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/b12-10+
InChIKeyCUSVDEZPADXSIL-ZRDIBKRKSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]benzene
CID 134986797
[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
CID 23237157
[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene
CID 135080811
benzenesulfonic acid
CID 87196622
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 15866325
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
but-2-en-2-ylsulfonylbenzene
CID 85377514
benzenesulfonic acid;manganese
CID 87184776
benzenesulfonic acid;silane
CID 175365915
potassium benzenesulfonic acid
CID 19930600
1-cyclopentylideneethylsulfonylbenzene
CID 12022055
tricalcium;benzenesulfonic acid;hydride
CID 173198982

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine (CID 102093393) is 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine is O=S(=O)(/C(F)=C/N1CCCC1)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine?
The InChIKey is CUSVDEZPADXSIL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-12(10-14-8-4-5-9-14)17(15,16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/b12-10+.
What are the key properties of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine?
1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine has a molecular weight of 255.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]pyrrolidine is sourced from PubChem (CID 102093393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).