1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

C18H21IN2O2S — CID 59563961

IUPAC1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(I)ccc3C)CC2)cc1
InChIInChI=1S/C18H21IN2O2S/c1-14-3-7-17(8-4-14)24(22,23)21-11-9-20(10-12-21)18-13-16(19)6-5-15(18)2/h3-8,13H,9-12H2,1-2H3
InChIKeyUJZWYZZQDZGTKA-UHFFFAOYSA-N
MW456.35 g/mol
LogP3.42
Rot. Bonds3

About 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 59563961) has the molecular formula C18H21IN2O2S and a molecular weight of 456.35 g/mol. Its IUPAC name is 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID59563961
Molecular FormulaC18H21IN2O2S
Molecular Weight456.35 g/mol
Exact Mass456.04
IUPAC Name1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(I)ccc3C)CC2)cc1
InChIInChI=1S/C18H21IN2O2S/c1-14-3-7-17(8-4-14)24(22,23)21-11-9-20(10-12-21)18-13-16(19)6-5-15(18)2/h3-8,13H,9-12H2,1-2H3
InChIKeyUJZWYZZQDZGTKA-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(5-iodo-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 90110466
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 59563961) is 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3cc(I)ccc3C)CC2)cc1.
What is the InChIKey of 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is UJZWYZZQDZGTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O2S/c1-14-3-7-17(8-4-14)24(22,23)21-11-9-20(10-12-21)18-13-16(19)6-5-15(18)2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 456.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 59563961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).