1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine

C19H24N2O3S — CID 2747482

IUPAC1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-17-7-9-19(10-8-17)25(22,23)21-13-11-20(12-14-21)15-16-24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyPOXOKTBHWDKHAX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine

1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine (PubChem CID 2747482) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
PubChem CID2747482
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-17-7-9-19(10-8-17)25(22,23)21-13-11-20(12-14-21)15-16-24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyPOXOKTBHWDKHAX-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine (CID 2747482) is 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The InChIKey is POXOKTBHWDKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-17-7-9-19(10-8-17)25(22,23)21-13-11-20(12-14-21)15-16-24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine?
1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 2747482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).