5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol

C14H20FNO4S — CID 123600638

IUPAC5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol
SMILESCc1ccc(S(=O)(=O)N2CC(O)C(O)C(C(C)F)C2)cc1
InChIInChI=1S/C14H20FNO4S/c1-9-3-5-11(6-4-9)21(19,20)16-7-12(10(2)15)14(18)13(17)8-16/h3-6,10,12-14,17-18H,7-8H2,1-2H3
InChIKeyQPGJSDDYTPEMHE-UHFFFAOYSA-N
MW317.38 g/mol
LogP0.70
Rot. Bonds3

About 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol

5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol (PubChem CID 123600638) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol
PubChem CID123600638
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol
SMILESCc1ccc(S(=O)(=O)N2CC(O)C(O)C(C(C)F)C2)cc1
InChIInChI=1S/C14H20FNO4S/c1-9-3-5-11(6-4-9)21(19,20)16-7-12(10(2)15)14(18)13(17)8-16/h3-6,10,12-14,17-18H,7-8H2,1-2H3
InChIKeyQPGJSDDYTPEMHE-UHFFFAOYSA-N
XLogP0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
(3R,4R)-4-(1-bromoethenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 11336921
(1R,5S)-7-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane-2,4-dione
CID 92539490
(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550
3-hydroxy-1-(4-methylphenyl)sulfonyl-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 69321115
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
sodium 1-(4-methylphenyl)sulfonylazetidine-3-carboxylate
CID 140937929
(1E,8E)-6,13-bis-(4-methylphenyl)sulfonyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 12983128
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 21475417

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
The IUPAC name of 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol (CID 123600638) is 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol.
What is the SMILES notation for 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
The canonical SMILES for 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol is Cc1ccc(S(=O)(=O)N2CC(O)C(O)C(C(C)F)C2)cc1.
What is the InChIKey of 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
The InChIKey is QPGJSDDYTPEMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-9-3-5-11(6-4-9)21(19,20)16-7-12(10(2)15)14(18)13(17)8-16/h3-6,10,12-14,17-18H,7-8H2,1-2H3.
What are the key properties of 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol?
5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol has a molecular weight of 317.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-1-(4-methylphenyl)sulfonylpiperidine-3,4-diol is sourced from PubChem (CID 123600638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).