2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol

C18H21FN2O3S — CID 4875268

IUPAC2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1ccccc1F)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-16-8-4-5-9-18(16)25(23,24)21-12-10-20(11-13-21)14-17(22)15-6-2-1-3-7-15/h1-9,17,22H,10-14H2
InChIKeyFZHVVNCPBFUDQM-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 4875268) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID4875268
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1ccccc1F)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-16-8-4-5-9-18(16)25(23,24)21-12-10-20(11-13-21)14-17(22)15-6-2-1-3-7-15/h1-9,17,22H,10-14H2
InChIKeyFZHVVNCPBFUDQM-UHFFFAOYSA-N
XLogP1.87
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 4875268) is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is O=S(=O)(c1ccccc1F)N1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is FZHVVNCPBFUDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-16-8-4-5-9-18(16)25(23,24)21-12-10-20(11-13-21)14-17(22)15-6-2-1-3-7-15/h1-9,17,22H,10-14H2.
What are the key properties of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 364.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 4875268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).