1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C23H32N2O3S — CID 16644832

IUPAC1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C23H32N2O3S/c1-17-8-7-9-20(18(17)2)24-12-14-25(15-13-24)29(26,27)22-16-19(23(3,4)5)10-11-21(22)28-6/h7-11,16H,12-15H2,1-6H3
InChIKeyJUNLNFLANVMGOY-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.12
Rot. Bonds4

About 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 16644832) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID16644832
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C23H32N2O3S/c1-17-8-7-9-20(18(17)2)24-12-14-25(15-13-24)29(26,27)22-16-19(23(3,4)5)10-11-21(22)28-6/h7-11,16H,12-15H2,1-6H3
InChIKeyJUNLNFLANVMGOY-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine 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-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 91669913
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]-3-methyl-1,2-oxazole
CID 20935061
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
4-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047786

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 16644832) is 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is JUNLNFLANVMGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-17-8-7-9-20(18(17)2)24-12-14-25(15-13-24)29(26,27)22-16-19(23(3,4)5)10-11-21(22)28-6/h7-11,16H,12-15H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 416.59 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 16644832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).