1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile

C12H12FNO2S — CID 43519309

IUPAC1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H12FNO2S/c13-10-3-5-11(6-4-10)17(15,16)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyMAKCAPFSSFHTQX-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.44
Rot. Bonds2

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

1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile (PubChem CID 43519309) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
PubChem CID43519309
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
SMILESN#CC1(S(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H12FNO2S/c13-10-3-5-11(6-4-10)17(15,16)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyMAKCAPFSSFHTQX-UHFFFAOYSA-N
XLogP2.44
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Phenylsulphonyl)propiononitrile
CID 82413
(Z)-2-(benzenesulfonyl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 1669174
4-(Trifluoromethylsulphonyl)benzonitrile
CID 2777824
2-(4-Fluorobenzenesulfonyl)acetonitrile
CID 565732
[(2-Fluorophenyl)sulfonyl]acetonitrile
CID 594343
3-[(4-Fluorophenyl)sulfonyl]propanenitrile
CID 4739600
3-((2-Fluorophenyl)sulfonyl)propanenitrile
CID 594342
2-(Benzenesulfonyl)-2-fluoroacetonitrile
CID 54279092
Cyclopentanecarbonitrile, 1-(phenylthio)-
CID 215885
3-(Trifluoromethylsulphonyl)benzonitrile
CID 97109532
4-(Benzenesulfonyl)butanenitrile
CID 9548462
2-(3-Fluorophenylsulfonyl)acetonitrile
CID 67362759

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile (CID 43519309) is 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile is N#CC1(S(=O)(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile?
The InChIKey is MAKCAPFSSFHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c13-10-3-5-11(6-4-10)17(15,16)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile?
1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile is sourced from PubChem (CID 43519309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).