4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile

C19H21N3O2S — CID 120765584

IUPAC4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-15-3-7-17(8-4-15)19-14-21-11-12-22(19)25(23,24)18-9-5-16(13-20)6-10-18/h3-10,19,21H,2,11-12,14H2,1H3
InChIKeyNPZFWVSOAIUKOG-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.46
Rot. Bonds4

About 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile

4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 120765584) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
PubChem CID120765584
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-15-3-7-17(8-4-15)19-14-21-11-12-22(19)25(23,24)18-9-5-16(13-20)6-10-18/h3-10,19,21H,2,11-12,14H2,1H3
InChIKeyNPZFWVSOAIUKOG-UHFFFAOYSA-N
XLogP2.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile 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-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-3,5-difluorobenzonitrile
CID 120765606
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylpyridine-2-carboxylate;hydrochloride
CID 120765525
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765523
ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 120765458
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
CID 120765362
1-but-3-enylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765493
4-[[(2R)-2-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 82755488
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile (CID 120765584) is 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile is CCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is NPZFWVSOAIUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-15-3-7-17(8-4-15)19-14-21-11-12-22(19)25(23,24)18-9-5-16(13-20)6-10-18/h3-10,19,21H,2,11-12,14H2,1H3.
What are the key properties of 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile?
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 355.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 120765584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).