1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

C21H28N2O4S2 — CID 17377884

IUPAC1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-3-4-5-19-8-12-21(13-9-19)29(26,27)23-16-14-22(15-17-23)28(24,25)20-10-6-18(2)7-11-20/h6-13H,3-5,14-17H2,1-2H3
InChIKeyYAYHZIQFYQPENK-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.03
Rot. Bonds7

About 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 17377884) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID17377884
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC Name1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-3-4-5-19-8-12-21(13-9-19)29(26,27)23-16-14-22(15-17-23)28(24,25)20-10-6-18(2)7-11-20/h6-13H,3-5,14-17H2,1-2H3
InChIKeyYAYHZIQFYQPENK-UHFFFAOYSA-N
XLogP3.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine 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-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-(4-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684732
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
5-butyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 10991122
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055
1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3816431
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (CID 17377884) is 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is YAYHZIQFYQPENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-3-4-5-19-8-12-21(13-9-19)29(26,27)23-16-14-22(15-17-23)28(24,25)20-10-6-18(2)7-11-20/h6-13H,3-5,14-17H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 436.60 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 17377884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).