1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine

C20H27N3O2S — CID 23962019

IUPAC1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-4-20(2,3)17-5-7-19(8-6-17)26(24,25)23-15-13-22(14-16-23)18-9-11-21-12-10-18/h5-12H,4,13-16H2,1-3H3
InChIKeyBVWMMQNBCPVSAZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.28
Rot. Bonds5

About 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine

1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine (PubChem CID 23962019) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine
PubChem CID23962019
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-4-20(2,3)17-5-7-19(8-6-17)26(24,25)23-15-13-22(14-16-23)18-9-11-21-12-10-18/h5-12H,4,13-16H2,1-3H3
InChIKeyBVWMMQNBCPVSAZ-UHFFFAOYSA-N
XLogP3.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine 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

1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine
CID 6737016
1-(4-tert-butylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 15997991
9-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 46109348
4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
CID 149346410
(3S,4R)-4-hydroxy-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135110813
7-(2,5-dichlorophenyl)-2-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46092948
1-(4-tert-butylphenyl)sulfonyl-4-(3,4-difluorophenyl)piperazine
CID 113081441
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 55515853
5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352615
1-[4-[4-(benzenesulfonyl)piperazin-1-yl]phenyl]-1-cyclopropylethanol
CID 70659341
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine (CID 23962019) is 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine is CCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine?
The InChIKey is BVWMMQNBCPVSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-20(2,3)17-5-7-19(8-6-17)26(24,25)23-15-13-22(14-16-23)18-9-11-21-12-10-18/h5-12H,4,13-16H2,1-3H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine?
1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine has a molecular weight of 373.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 23962019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).