1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine

C18H20F2N2O2S — CID 6465550

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H20F2N2O2S/c19-17-7-6-16(14-18(17)20)25(23,24)22-12-10-21(11-13-22)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyYPMHTKABKTURDW-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.51
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine

1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 6465550) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID6465550
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H20F2N2O2S/c19-17-7-6-16(14-18(17)20)25(23,24)22-12-10-21(11-13-22)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyYPMHTKABKTURDW-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine (CID 6465550) is 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is YPMHTKABKTURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c19-17-7-6-16(14-18(17)20)25(23,24)22-12-10-21(11-13-22)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 366.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 6465550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).