[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol

C12H15F2NO3S — CID 43574533

IUPAC[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCCC1CO
InChIInChI=1S/C12H15F2NO3S/c13-9-5-10(14)7-12(6-9)19(17,18)15-4-2-1-3-11(15)8-16/h5-7,11,16H,1-4,8H2
InChIKeyNYDJSMJBVPSDQM-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.50
Rot. Bonds3

About [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol

[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 43574533) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID43574533
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCCC1CO
InChIInChI=1S/C12H15F2NO3S/c13-9-5-10(14)7-12(6-9)19(17,18)15-4-2-1-3-11(15)8-16/h5-7,11,16H,1-4,8H2
InChIKeyNYDJSMJBVPSDQM-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 63321960
2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 63321689
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol (CID 43574533) is [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol is O=S(=O)(c1cc(F)cc(F)c1)N1CCCCC1CO.
What is the InChIKey of [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is NYDJSMJBVPSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-9-5-10(14)7-12(6-9)19(17,18)15-4-2-1-3-11(15)8-16/h5-7,11,16H,1-4,8H2.
What are the key properties of [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol?
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 291.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 43574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).