1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine

C19H24N2O3S — CID 113077498

IUPAC1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-24-18-10-8-17(9-11-18)20-12-14-21(15-13-20)25(22,23)19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3
InChIKeyPNODSJWZQWNBON-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine

1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 113077498) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID113077498
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-24-18-10-8-17(9-11-18)20-12-14-21(15-13-20)25(22,23)19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3
InChIKeyPNODSJWZQWNBON-UHFFFAOYSA-N
XLogP2.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]aniline
CID 113078885
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 122651374
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
CID 113077495
methyl 3-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 3796308
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide
CID 167248237

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine (CID 113077498) is 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine is CCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is PNODSJWZQWNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-24-18-10-8-17(9-11-18)20-12-14-21(15-13-20)25(22,23)19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 360.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113077498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).