2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol

C13H18F2N2O3S — CID 61150558

IUPAC2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccccc1N1CCN(CCO)CC1)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c14-13(15)21(19,20)12-4-2-1-3-11(12)17-7-5-16(6-8-17)9-10-18/h1-4,13,18H,5-10H2
InChIKeyPIWHRFHUOZKFAB-UHFFFAOYSA-N
MW320.36 g/mol
LogP0.80
Rot. Bonds5

About 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol

2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 61150558) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol
PubChem CID61150558
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccccc1N1CCN(CCO)CC1)C(F)F
InChIInChI=1S/C13H18F2N2O3S/c14-13(15)21(19,20)12-4-2-1-3-11(12)17-7-5-16(6-8-17)9-10-18/h1-4,13,18H,5-10H2
InChIKeyPIWHRFHUOZKFAB-UHFFFAOYSA-N
XLogP0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromoethyl)-4-[2-(difluoromethylsulfonyl)phenyl]piperazine
CID 80676654
2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61150559
4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 133282213
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
(3R)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113238022
3-[[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342829
1-[2-(difluoromethylsulfonyl)phenyl]-1,4-diazepane
CID 43455340
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
methyl 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylate
CID 133275055
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol (CID 61150558) is 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol is O=S(=O)(c1ccccc1N1CCN(CCO)CC1)C(F)F.
What is the InChIKey of 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is PIWHRFHUOZKFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c14-13(15)21(19,20)12-4-2-1-3-11(12)17-7-5-16(6-8-17)9-10-18/h1-4,13,18H,5-10H2.
What are the key properties of 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol?
2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 320.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 61150558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).