1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile

C11H10FNO2S — CID 43519310

IUPAC1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccc(F)cc2)CCC1
InChIInChI=1S/C11H10FNO2S/c12-9-2-4-10(5-3-9)16(14,15)11(8-13)6-1-7-11/h2-5H,1,6-7H2
InChIKeyGMLUJLBYWOIUAT-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile

1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile (PubChem CID 43519310) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile
PubChem CID43519310
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccc(F)cc2)CCC1
InChIInChI=1S/C11H10FNO2S/c12-9-2-4-10(5-3-9)16(14,15)11(8-13)6-1-7-11/h2-5H,1,6-7H2
InChIKeyGMLUJLBYWOIUAT-UHFFFAOYSA-N
XLogP2.05
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile (CID 43519310) is 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile is N#CC1(S(=O)(=O)c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile?
The InChIKey is GMLUJLBYWOIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c12-9-2-4-10(5-3-9)16(14,15)11(8-13)6-1-7-11/h2-5H,1,6-7H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile?
1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile has a molecular weight of 239.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylcyclobutane-1-carbonitrile is sourced from PubChem (CID 43519310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).