4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine

C18H21IN2O2S — CID 5154775

IUPAC4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2C)cc1
InChIInChI=1S/C18H21IN2O2S/c1-14-3-7-17(8-4-14)21-12-11-20(13-15(21)2)24(22,23)18-9-5-16(19)6-10-18/h3-10,15H,11-13H2,1-2H3
InChIKeyGLFFHZOPSWBQLW-UHFFFAOYSA-N
MW456.35 g/mol
LogP3.50
Rot. Bonds3

About 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine

4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine (PubChem CID 5154775) has the molecular formula C18H21IN2O2S and a molecular weight of 456.35 g/mol. Its IUPAC name is 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
PubChem CID5154775
Molecular FormulaC18H21IN2O2S
Molecular Weight456.35 g/mol
Exact Mass456.04
IUPAC Name4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2C)cc1
InChIInChI=1S/C18H21IN2O2S/c1-14-3-7-17(8-4-14)21-12-11-20(13-15(21)2)24(22,23)18-9-5-16(19)6-10-18/h3-10,15H,11-13H2,1-2H3
InChIKeyGLFFHZOPSWBQLW-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462
4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 19682975
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
2-methyl-4-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 92505236
cyclobutyl-[5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 20853279
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 7042227
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 67665365

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The IUPAC name of 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine (CID 5154775) is 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine.
What is the SMILES notation for 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The canonical SMILES for 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2C)cc1.
What is the InChIKey of 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The InChIKey is GLFFHZOPSWBQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O2S/c1-14-3-7-17(8-4-14)21-12-11-20(13-15(21)2)24(22,23)18-9-5-16(19)6-10-18/h3-10,15H,11-13H2,1-2H3.
What are the key properties of 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine has a molecular weight of 456.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine is sourced from PubChem (CID 5154775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).