2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile

C19H19FN2O2S — CID 71153860

IUPAC2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile
SMILESN#CCc1cccc(C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O2S/c20-17-7-9-18(10-8-17)25(23,24)22-13-2-1-6-19(22)16-5-3-4-15(14-16)11-12-21/h3-5,7-10,14,19H,1-2,6,11,13H2
InChIKeyQOTIAPNQGVOPJO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.81
Rot. Bonds4

About 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile

2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile (PubChem CID 71153860) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile
PubChem CID71153860
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile
SMILESN#CCc1cccc(C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O2S/c20-17-7-9-18(10-8-17)25(23,24)22-13-2-1-6-19(22)16-5-3-4-15(14-16)11-12-21/h3-5,7-10,14,19H,1-2,6,11,13H2
InChIKeyQOTIAPNQGVOPJO-UHFFFAOYSA-N
XLogP3.81
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 2813021
N1-(1-Benzyl-4-piperidyl)-4-cyanobenzene-1-sulfonamide
CID 563196
N-benzyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 779504
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzene-1-sulfonamide
CID 2384883
9-(Benzenesulfonyl)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecane
CID 3235091
1-(2-Fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 6736975
(2R)-1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 6977766
4-(2,4-Difluorophenethyl)-4-fluoro-1-(4-fluorophenylsulfonyl)piperidine
CID 44411847
4-(2,4-Difluorophenethyl)-1-(2-fluorophenylsulfonyl)piperidine
CID 44411864

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile?
The IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile (CID 71153860) is 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile is N#CCc1cccc(C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile?
The InChIKey is QOTIAPNQGVOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-17-7-9-18(10-8-17)25(23,24)22-13-2-1-6-19(22)16-5-3-4-15(14-16)11-12-21/h3-5,7-10,14,19H,1-2,6,11,13H2.
What are the key properties of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile?
2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile has a molecular weight of 358.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]phenyl]acetonitrile is sourced from PubChem (CID 71153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).