1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

C18H26N4O4S2 — CID 17301236

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(C)n1
InChIInChI=1S/C18H26N4O4S2/c1-5-20-13-18(16(4)19-20)28(25,26)22-10-8-21(9-11-22)27(23,24)17-12-14(2)6-7-15(17)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyZNAYLPLKGNBCAX-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.52
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17301236) has the molecular formula C18H26N4O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17301236
Molecular FormulaC18H26N4O4S2
Molecular Weight426.56 g/mol
Exact Mass426.14
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(C)n1
InChIInChI=1S/C18H26N4O4S2/c1-5-20-13-18(16(4)19-20)28(25,26)22-10-8-21(9-11-22)27(23,24)17-12-14(2)6-7-15(17)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyZNAYLPLKGNBCAX-UHFFFAOYSA-N
XLogP1.52
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)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-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17024192
1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 19682701
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-ethyl-3-methyl-4-(4-methylpyrazol-1-yl)sulfonylpyrazole
CID 22771671
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22208964
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (CID 17301236) is 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(C)n1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is ZNAYLPLKGNBCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S2/c1-5-20-13-18(16(4)19-20)28(25,26)22-10-8-21(9-11-22)27(23,24)17-12-14(2)6-7-15(17)3/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 426.56 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17301236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).