1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol

C12H17NO5S — CID 106672603

IUPAC1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCCOc1ccc(S(=O)(=O)N2CC(O)C(O)C2)cc1
InChIInChI=1S/C12H17NO5S/c1-2-18-9-3-5-10(6-4-9)19(16,17)13-7-11(14)12(15)8-13/h3-6,11-12,14-15H,2,7-8H2,1H3
InChIKeyAISQHFOYABLSKO-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.19
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol

1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106672603) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID106672603
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCCOc1ccc(S(=O)(=O)N2CC(O)C(O)C2)cc1
InChIInChI=1S/C12H17NO5S/c1-2-18-9-3-5-10(6-4-9)19(16,17)13-7-11(14)12(15)8-13/h3-6,11-12,14-15H,2,7-8H2,1H3
InChIKeyAISQHFOYABLSKO-UHFFFAOYSA-N
XLogP-0.19
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
[(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129003855
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090575
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-[4-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921334
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
(3S,4R)-1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767116
S-[(3S)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl] ethanethioate
CID 89169637
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol (CID 106672603) is 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol is CCOc1ccc(S(=O)(=O)N2CC(O)C(O)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is AISQHFOYABLSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-2-18-9-3-5-10(6-4-9)19(16,17)13-7-11(14)12(15)8-13/h3-6,11-12,14-15H,2,7-8H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol?
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 287.34 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).