1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol

C13H18FNO5S — CID 43502996

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol
SMILESCOc1cc(F)c(S(=O)(=O)N2CCCC(O)C2)cc1OC
InChIInChI=1S/C13H18FNO5S/c1-19-11-6-10(14)13(7-12(11)20-2)21(17,18)15-5-3-4-9(16)8-15/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyGCVSWGHARURGJK-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.99
Rot. Bonds4

About 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol

1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol (PubChem CID 43502996) has the molecular formula C13H18FNO5S and a molecular weight of 319.35 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol
PubChem CID43502996
Molecular FormulaC13H18FNO5S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol
SMILESCOc1cc(F)c(S(=O)(=O)N2CCCC(O)C2)cc1OC
InChIInChI=1S/C13H18FNO5S/c1-19-11-6-10(14)13(7-12(11)20-2)21(17,18)15-5-3-4-9(16)8-15/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyGCVSWGHARURGJK-UHFFFAOYSA-N
XLogP0.99
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031393
1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-1,4-diazepane
CID 5305602
(3S)-1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-ol
CID 107225013
(2S,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
CID 99779452
(2R,4R)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperidin-4-ol
CID 99779451
3,4-difluoro-5-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 105112071
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107216444
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
CID 43502998
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900555
(3R)-1-(5-amino-4-bromo-2-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 107212054
1-(4-methoxy-3-nitrophenyl)sulfonylpiperidin-3-ol
CID 43394251

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol (CID 43502996) is 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol is COc1cc(F)c(S(=O)(=O)N2CCCC(O)C2)cc1OC.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol?
The InChIKey is GCVSWGHARURGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5S/c1-19-11-6-10(14)13(7-12(11)20-2)21(17,18)15-5-3-4-9(16)8-15/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol?
1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol has a molecular weight of 319.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 43502996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).