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

C15H20F2N2O3S — CID 71783504

IUPAC1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-3-4-15(13(17)9-12)23(21,22)19-7-5-18(6-8-19)10-14(20)11-1-2-11/h3-4,9,11,14,20H,1-2,5-8,10H2
InChIKeyNPUWZAAILSVKEF-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.04
Rot. Bonds5

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

1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 71783504) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID71783504
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-3-4-15(13(17)9-12)23(21,22)19-7-5-18(6-8-19)10-14(20)11-1-2-11/h3-4,9,11,14,20H,1-2,5-8,10H2
InChIKeyNPUWZAAILSVKEF-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropyl-2-(4-((2-fluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783511
1-Cyclopropyl-2-(4-((4-fluorobenzyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783521
(S)-1-[4-(p-fluorophenylsulfonyl)-1-piperazinyl]-2-propanol
CID 94313893
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 2493430
3,4-difluoro-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 129625045
(R)-1-cyclopropyl-2-[4-(2,5-xylylsulfonyl)-1-piperazinyl]-1-ethanol
CID 97039254
(R)-2-[4-(m-chlorophenylsulfonyl)-1-piperazinyl]-1-cyclopropyl-1-ethanol
CID 97039290
2-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-1-ethanol
CID 2380545
1-(3,4-Difluorophenyl)sulfonylpiperidin-3-ol
CID 6736312
1-(4-((4-Fluorophenyl)sulfonyl)piperazin-1-yl)propan-2-ol
CID 71683860
1-Cyclopropyl-2-(4-((2,6-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783516
1-Cyclopropyl-2-(4-((3,5-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 71783504) is 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1ccc(F)cc1F)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is NPUWZAAILSVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c16-12-3-4-15(13(17)9-12)23(21,22)19-7-5-18(6-8-19)10-14(20)11-1-2-11/h3-4,9,11,14,20H,1-2,5-8,10H2.
What are the key properties of 1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 346.40 g/mol, XLogP of 1.04, 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-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 71783504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).