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

C15H21FN2O3S — CID 71783511

IUPAC1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccccc1F)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H21FN2O3S/c16-13-3-1-2-4-15(13)22(20,21)18-9-7-17(8-10-18)11-14(19)12-5-6-12/h1-4,12,14,19H,5-11H2
InChIKeyZXOAZYSLQBODSI-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.90
Rot. Bonds5

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

1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 71783511) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID71783511
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccccc1F)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H21FN2O3S/c16-13-3-1-2-4-15(13)22(20,21)18-9-7-17(8-10-18)11-14(19)12-5-6-12/h1-4,12,14,19H,5-11H2
InChIKeyZXOAZYSLQBODSI-UHFFFAOYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 71783511) is 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1ccccc1F)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is ZXOAZYSLQBODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-13-3-1-2-4-15(13)22(20,21)18-9-7-17(8-10-18)11-14(19)12-5-6-12/h1-4,12,14,19H,5-11H2.
What are the key properties of 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 328.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 71783511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).