1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine

C20H25FN2O4S2 — CID 4510553

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H25FN2O4S2/c1-20(2,3)16-4-8-18(9-5-16)28(24,25)22-12-14-23(15-13-22)29(26,27)19-10-6-17(21)7-11-19/h4-11H,12-15H2,1-3H3
InChIKeyTVGPHORONINCNX-UHFFFAOYSA-N
MW440.56 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine

1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 4510553) has the molecular formula C20H25FN2O4S2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID4510553
Molecular FormulaC20H25FN2O4S2
Molecular Weight440.56 g/mol
Exact Mass440.12
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H25FN2O4S2/c1-20(2,3)16-4-8-18(9-5-16)28(24,25)22-12-14-23(15-13-22)29(26,27)19-10-6-17(21)7-11-19/h4-11H,12-15H2,1-3H3
InChIKeyTVGPHORONINCNX-UHFFFAOYSA-N
XLogP2.82
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
1-(4-tert-butylphenyl)sulfonyl-4-(3,4-difluorophenyl)piperazine
CID 113081441
4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 91029877
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
5-tert-butyl-3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol
CID 27073706
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 51248346
1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine (CID 4510553) is 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is TVGPHORONINCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S2/c1-20(2,3)16-4-8-18(9-5-16)28(24,25)22-12-14-23(15-13-22)29(26,27)19-10-6-17(21)7-11-19/h4-11H,12-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 440.56 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 4510553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).