[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol

C13H18FNO5S — CID 103541161

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
SMILESCOC1CN(S(=O)(=O)c2cc(F)ccc2CO)CC1OC
InChIInChI=1S/C13H18FNO5S/c1-19-11-6-15(7-12(11)20-2)21(17,18)13-5-10(14)4-3-9(13)8-16/h3-5,11-12,16H,6-8H2,1-2H3
InChIKeyOYZJNNFRYNZKRV-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.35
Rot. Bonds5

About [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol

[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol (PubChem CID 103541161) has the molecular formula C13H18FNO5S and a molecular weight of 319.35 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
PubChem CID103541161
Molecular FormulaC13H18FNO5S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
SMILESCOC1CN(S(=O)(=O)c2cc(F)ccc2CO)CC1OC
InChIInChI=1S/C13H18FNO5S/c1-19-11-6-15(7-12(11)20-2)21(17,18)13-5-10(14)4-3-9(13)8-16/h3-5,11-12,16H,6-8H2,1-2H3
InChIKeyOYZJNNFRYNZKRV-UHFFFAOYSA-N
XLogP0.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
[2-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-fluorophenyl]methanol
CID 102919788
[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
CID 106317053
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluoroaniline
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[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanol
CID 103541145
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,6-difluoroaniline
CID 107343973
methyl 4-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 103916501
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970770
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
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1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3-methylpyrrolidine
CID 102920059

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol (CID 103541161) is [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol is COC1CN(S(=O)(=O)c2cc(F)ccc2CO)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
The InChIKey is OYZJNNFRYNZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5S/c1-19-11-6-15(7-12(11)20-2)21(17,18)13-5-10(14)4-3-9(13)8-16/h3-5,11-12,16H,6-8H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol?
[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol has a molecular weight of 319.35 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol is sourced from PubChem (CID 103541161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).