1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine

C25H32N4O4S2 — CID 17301213

IUPAC1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1
InChIInChI=1S/C25H32N4O4S2/c1-4-5-9-22-12-14-24(15-13-22)34(30,31)27-16-18-28(19-17-27)35(32,33)25-20(2)26-29(21(25)3)23-10-7-6-8-11-23/h6-8,10-15H,4-5,9,16-19H2,1-3H3
InChIKeyWRBJZDLFAODAFB-UHFFFAOYSA-N
MW516.69 g/mol
LogP3.53
Rot. Bonds8

About 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine

1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17301213) has the molecular formula C25H32N4O4S2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17301213
Molecular FormulaC25H32N4O4S2
Molecular Weight516.69 g/mol
Exact Mass516.19
IUPAC Name1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1
InChIInChI=1S/C25H32N4O4S2/c1-4-5-9-22-12-14-24(15-13-22)34(30,31)27-16-18-28(19-17-27)35(32,33)25-20(2)26-29(21(25)3)23-10-7-6-8-11-23/h6-8,10-15H,4-5,9,16-19H2,1-3H3
InChIKeyWRBJZDLFAODAFB-UHFFFAOYSA-N
XLogP3.53
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-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-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 19684923
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 22208018
1-(4-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684732
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 4808769
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine (CID 17301213) is 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine is CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is WRBJZDLFAODAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S2/c1-4-5-9-22-12-14-24(15-13-22)34(30,31)27-16-18-28(19-17-27)35(32,33)25-20(2)26-29(21(25)3)23-10-7-6-8-11-23/h6-8,10-15H,4-5,9,16-19H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 516.69 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17301213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).