1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol

C15H20F2N2O3S — CID 71783516

IUPAC1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-2-1-3-13(17)15(12)23(21,22)19-8-6-18(7-9-19)10-14(20)11-4-5-11/h1-3,11,14,20H,4-10H2
InChIKeyIGASNPUSWMBPBX-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.04
Rot. Bonds5

About 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol

1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 71783516) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID71783516
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-2-1-3-13(17)15(12)23(21,22)19-8-6-18(7-9-19)10-14(20)11-4-5-11/h1-3,11,14,20H,4-10H2
InChIKeyIGASNPUSWMBPBX-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)-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-((2,4-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783504
1-Cyclopropyl-2-(4-((3,5-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783523
1-(4-((2,5-Difluorophenyl)sulfonyl)piperazin-1-yl)propan-2-ol
CID 71783552

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 71783516) is 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1c(F)cccc1F)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is IGASNPUSWMBPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c16-12-2-1-3-13(17)15(12)23(21,22)19-8-6-18(7-9-19)10-14(20)11-4-5-11/h1-3,11,14,20H,4-10H2.
What are the key properties of 1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-(2,6-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-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 71783516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).