2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile

C24H22FN3O4S — CID 24679893

IUPAC2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C24H22FN3O4S/c25-21-7-3-2-6-20(21)22-11-9-19(32-22)10-12-24(29)27-13-15-28(16-14-27)33(30,31)23-8-4-1-5-18(23)17-26/h1-9,11H,10,12-16H2
InChIKeyBFXKYOVYZTWUJA-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.42
Rot. Bonds6

About 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile

2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 24679893) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
PubChem CID24679893
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C24H22FN3O4S/c25-21-7-3-2-6-20(21)22-11-9-19(32-22)10-12-24(29)27-13-15-28(16-14-27)33(30,31)23-8-4-1-5-18(23)17-26/h1-9,11H,10,12-16H2
InChIKeyBFXKYOVYZTWUJA-UHFFFAOYSA-N
XLogP3.42
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27445409
2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 2467591
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 55463063
2-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 17488169
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
CID 119646062
2-[4-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 46407567
ethyl 4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate
CID 9089473
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
CID 9490010
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile (CID 24679893) is 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is BFXKYOVYZTWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c25-21-7-3-2-6-20(21)22-11-9-19(32-22)10-12-24(29)27-13-15-28(16-14-27)33(30,31)23-8-4-1-5-18(23)17-26/h1-9,11H,10,12-16H2.
What are the key properties of 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile?
2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 467.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 24679893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).