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

C12H17FN2O3S — CID 2380545

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C12H17FN2O3S/c13-11-1-3-12(4-2-11)19(17,18)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChIKeyFFFQUZYKYWVTAV-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.12
Rot. Bonds4

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

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 2380545) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID2380545
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C12H17FN2O3S/c13-11-1-3-12(4-2-11)19(17,18)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChIKeyFFFQUZYKYWVTAV-UHFFFAOYSA-N
XLogP0.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 2380545) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1ccc(F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is FFFQUZYKYWVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-1-3-12(4-2-11)19(17,18)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 288.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 2380545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).