1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine

C19H23FN2O2S — CID 110290651

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O2S/c1-16-2-8-19(9-3-16)25(23,24)22-14-12-21(13-15-22)11-10-17-4-6-18(20)7-5-17/h2-9H,10-15H2,1H3
InChIKeyMYWZWGAIOZJFRQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine

1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 110290651) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID110290651
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O2S/c1-16-2-8-19(9-3-16)25(23,24)22-14-12-21(13-15-22)11-10-17-4-6-18(20)7-5-17/h2-9H,10-15H2,1H3
InChIKeyMYWZWGAIOZJFRQ-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8691903
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine (CID 110290651) is 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(CCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is MYWZWGAIOZJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-16-2-8-19(9-3-16)25(23,24)22-14-12-21(13-15-22)11-10-17-4-6-18(20)7-5-17/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 362.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110290651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).