2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine

C12H9FN2O2S — CID 23237149

IUPAC2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine
SMILESO=S(=O)(/C(F)=C\c1ccccc1)c1ncccn1
InChIInChI=1S/C12H9FN2O2S/c13-11(9-10-5-2-1-3-6-10)18(16,17)12-14-7-4-8-15-12/h1-9H/b11-9-
InChIKeyZLMUDTJYPXQFNM-LUAWRHEFSA-N
MW264.28 g/mol
LogP2.22
Rot. Bonds3

About 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine

2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine (PubChem CID 23237149) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine.

Molecular Properties

Compound Name2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine
PubChem CID23237149
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine
SMILESO=S(=O)(/C(F)=C\c1ccccc1)c1ncccn1
InChIInChI=1S/C12H9FN2O2S/c13-11(9-10-5-2-1-3-6-10)18(16,17)12-14-7-4-8-15-12/h1-9H/b11-9-
InChIKeyZLMUDTJYPXQFNM-LUAWRHEFSA-N
XLogP2.22
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1-chloro-2-phenylethenyl)pyrimidine
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CID 122386724
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CID 11750295
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
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CID 172794141

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine?
The IUPAC name of 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine (CID 23237149) is 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine.
What is the SMILES notation for 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine?
The canonical SMILES for 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine is O=S(=O)(/C(F)=C\c1ccccc1)c1ncccn1.
What is the InChIKey of 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine?
The InChIKey is ZLMUDTJYPXQFNM-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c13-11(9-10-5-2-1-3-6-10)18(16,17)12-14-7-4-8-15-12/h1-9H/b11-9-.
What are the key properties of 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine?
2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine has a molecular weight of 264.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluoro-2-phenylethenyl]sulfonylpyrimidine is sourced from PubChem (CID 23237149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).