1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol

C11H13F2NO3S — CID 6736312

IUPAC1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCCC(O)C1
InChIInChI=1S/C11H13F2NO3S/c12-10-4-3-9(6-11(10)13)18(16,17)14-5-1-2-8(15)7-14/h3-4,6,8,15H,1-2,5,7H2
InChIKeyQUABJGFPDDXCCM-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.11
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol

1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol (PubChem CID 6736312) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol
PubChem CID6736312
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCCC(O)C1
InChIInChI=1S/C11H13F2NO3S/c12-10-4-3-9(6-11(10)13)18(16,17)14-5-1-2-8(15)7-14/h3-4,6,8,15H,1-2,5,7H2
InChIKeyQUABJGFPDDXCCM-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(4-Fluorophenylsulfonyl)piperidin-3-yl)methanol
CID 3245709
Ethanol, 2-(cyclohexyl)(4-fluorophenylsulfonyl)amino-
CID 604862
4-(3,4-Difluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 3495349
4-(3-Fluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 2938759
1-((3,5-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720668
1-Cyclopropyl-2-(4-((2-fluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783511
(S)-1-[4-(p-fluorophenylsulfonyl)-1-piperazinyl]-2-propanol
CID 94313893
(3S,4R)-1-(4-fluorophenyl)sulfonylpiperidine-3,4-diol
CID 145970295
(3S,4R)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-3,4-diol
CID 145978121
4-[(3,4-Difluorophenyl)sulfonyl]morpholine
CID 2318412
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 2493430
[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3722450

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol (CID 6736312) is 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol is O=S(=O)(c1ccc(F)c(F)c1)N1CCCC(O)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol?
The InChIKey is QUABJGFPDDXCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c12-10-4-3-9(6-11(10)13)18(16,17)14-5-1-2-8(15)7-14/h3-4,6,8,15H,1-2,5,7H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol?
1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol has a molecular weight of 277.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 6736312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).