5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile

C20H24N4O2S — CID 133352615

IUPAC5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)16-4-8-19(9-5-16)27(25,26)24-12-10-23(11-13-24)18-7-6-17(14-21)22-15-18/h4-9,15H,10-13H2,1-3H3
InChIKeyKXFAVVBNNZVHEM-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.76
Rot. Bonds3

About 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile

5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133352615) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133352615
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)16-4-8-19(9-5-16)27(25,26)24-12-10-23(11-13-24)18-7-6-17(14-21)22-15-18/h4-9,15H,10-13H2,1-3H3
InChIKeyKXFAVVBNNZVHEM-UHFFFAOYSA-N
XLogP2.76
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile 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

5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133358370
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 26440336
1-(4-tert-butylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 15997991
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
1-(4-tert-butylphenyl)sulfonyl-4-(3,4-difluorophenyl)piperazine
CID 113081441
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1276160
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146078102

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile (CID 133352615) is 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is KXFAVVBNNZVHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2,3)16-4-8-19(9-5-16)27(25,26)24-12-10-23(11-13-24)18-7-6-17(14-21)22-15-18/h4-9,15H,10-13H2,1-3H3.
What are the key properties of 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 384.51 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133352615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).