1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

C24H34N2O4S2 — CID 19684674

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H34N2O4S2/c1-19(2)18-20-6-10-22(11-7-20)31(27,28)25-14-16-26(17-15-25)32(29,30)23-12-8-21(9-13-23)24(3,4)5/h6-13,19H,14-18H2,1-5H3
InChIKeyYXLQMLCUSSUGHW-UHFFFAOYSA-N
MW478.68 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (PubChem CID 19684674) has the molecular formula C24H34N2O4S2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
PubChem CID19684674
Molecular FormulaC24H34N2O4S2
Molecular Weight478.68 g/mol
Exact Mass478.20
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H34N2O4S2/c1-19(2)18-20-6-10-22(11-7-20)31(27,28)25-14-16-26(17-15-25)32(29,30)23-12-8-21(9-13-23)24(3,4)5/h6-13,19H,14-18H2,1-5H3
InChIKeyYXLQMLCUSSUGHW-UHFFFAOYSA-N
XLogP3.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
2-methyl-1-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796956
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(4-nitrophenyl)piperazine
CID 2942834
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (CID 19684674) is 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is CC(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The InChIKey is YXLQMLCUSSUGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S2/c1-19(2)18-20-6-10-22(11-7-20)31(27,28)25-14-16-26(17-15-25)32(29,30)23-12-8-21(9-13-23)24(3,4)5/h6-13,19H,14-18H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine has a molecular weight of 478.68 g/mol, XLogP of 3.88, 6 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-(2-methylpropyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 19684674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).