1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol

C13H17F2NO3S — CID 103834597

IUPAC1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H17F2NO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)11-2-3-12(14)13(15)8-11/h2-3,8-10,17H,4-7H2,1H3
InChIKeyNMBBKOFYJVMPBN-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.75
Rot. Bonds3

About 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol

1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 103834597) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID103834597
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H17F2NO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)11-2-3-12(14)13(15)8-11/h2-3,8-10,17H,4-7H2,1H3
InChIKeyNMBBKOFYJVMPBN-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835672
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
CID 106836439
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 103834553
1-[1-(3-fluoro-4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974631
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol (CID 103834597) is 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is NMBBKOFYJVMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)11-2-3-12(14)13(15)8-11/h2-3,8-10,17H,4-7H2,1H3.
What are the key properties of 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 305.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 103834597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).