4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile

C13H15N3O2S — CID 57296783

IUPAC4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile
SMILESN#Cc1ccc(C=CS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H15N3O2S/c14-11-13-3-1-12(2-4-13)5-10-19(17,18)16-8-6-15-7-9-16/h1-5,10,15H,6-9H2
InChIKeyQVWCKQTWQJVVPY-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.76
Rot. Bonds3

About 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile

4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile (PubChem CID 57296783) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile
PubChem CID57296783
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile
SMILESN#Cc1ccc(C=CS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H15N3O2S/c14-11-13-3-1-12(2-4-13)5-10-19(17,18)16-8-6-15-7-9-16/h1-5,10,15H,6-9H2
InChIKeyQVWCKQTWQJVVPY-UHFFFAOYSA-N
XLogP0.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-piperazin-1-ylsulfonylethenyl]benzonitrile
CID 22628086
N-(4-cyanophenyl)piperazine-1-sulfonamide
CID 28775902
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
CID 47064565
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzonitrile
CID 3930410
4-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)prop-1-enyl]benzonitrile
CID 76931950
4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
CID 2524566
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
CID 32737598
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
4-[(E)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]benzonitrile
CID 678137

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile?
The IUPAC name of 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile (CID 57296783) is 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile.
What is the SMILES notation for 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile?
The canonical SMILES for 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile is N#Cc1ccc(C=CS(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile?
The InChIKey is QVWCKQTWQJVVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-11-13-3-1-12(2-4-13)5-10-19(17,18)16-8-6-15-7-9-16/h1-5,10,15H,6-9H2.
What are the key properties of 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile?
4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile has a molecular weight of 277.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylsulfonylethenyl)benzonitrile is sourced from PubChem (CID 57296783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).