1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine

C20H30N4O4S2 — CID 19684719

IUPAC1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C20H30N4O4S2/c1-15(2)14-18-6-8-19(9-7-18)29(25,26)23-10-12-24(13-11-23)30(27,28)20-16(3)21-22(5)17(20)4/h6-9,15H,10-14H2,1-5H3
InChIKeyHKCWNANLGNHQFD-UHFFFAOYSA-N
MW454.62 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine

1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19684719) has the molecular formula C20H30N4O4S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19684719
Molecular FormulaC20H30N4O4S2
Molecular Weight454.62 g/mol
Exact Mass454.17
IUPAC Name1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C20H30N4O4S2/c1-15(2)14-18-6-8-19(9-7-18)29(25,26)23-10-12-24(13-11-23)30(27,28)20-16(3)21-22(5)17(20)4/h6-9,15H,10-14H2,1-5H3
InChIKeyHKCWNANLGNHQFD-UHFFFAOYSA-N
XLogP1.93
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22208300
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208397
1-(4-propan-2-ylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208399
1-thiophen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684932
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
5-methyl-3-[[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 8841146
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine (CID 19684719) is 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is HKCWNANLGNHQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S2/c1-15(2)14-18-6-8-19(9-7-18)29(25,26)23-10-12-24(13-11-23)30(27,28)20-16(3)21-22(5)17(20)4/h6-9,15H,10-14H2,1-5H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine?
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 454.62 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19684719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).