1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine

C18H22N2O2S — CID 775783

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C18H22N2O2S/c1-15-8-9-18(16(2)14-15)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyJUJXNEMLGLBFHE-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine

1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 775783) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID775783
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C18H22N2O2S/c1-15-8-9-18(16(2)14-15)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyJUJXNEMLGLBFHE-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 316053
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1-(4-Tert-butylbenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 1041738
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CID 45380179
Arylsulfonylpiperazine, 33
CID 15997991
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
2,2,4,6-Tetramethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 604128
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
Asm-024
CID 117587641
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
2,4,6,N-Tetramethylbenzenesulfonanilide
CID 742447

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine (CID 775783) is 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is JUJXNEMLGLBFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-8-9-18(16(2)14-15)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 775783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).