1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile

C10H8FNO2S — CID 116855146

IUPAC1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C10H8FNO2S/c11-8-2-1-3-9(6-8)15(13,14)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKeyQMJJUOGBUDMZBZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.66
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile

1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile (PubChem CID 116855146) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile
PubChem CID116855146
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C10H8FNO2S/c11-8-2-1-3-9(6-8)15(13,14)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKeyQMJJUOGBUDMZBZ-UHFFFAOYSA-N
XLogP1.66
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile (CID 116855146) is 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile is N#CC1(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile?
The InChIKey is QMJJUOGBUDMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-8-2-1-3-9(6-8)15(13,14)10(7-12)4-5-10/h1-3,6H,4-5H2.
What are the key properties of 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile?
1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile has a molecular weight of 225.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116855146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).