1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol

C12H17NO5S — CID 106672758

IUPAC1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
SMILESCC(O)c1cccc(S(=O)(=O)N2CC(O)C(O)C2)c1
InChIInChI=1S/C12H17NO5S/c1-8(14)9-3-2-4-10(5-9)19(17,18)13-6-11(15)12(16)7-13/h2-5,8,11-12,14-16H,6-7H2,1H3
InChIKeyXTLUXJNNTFJIMZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.53
Rot. Bonds3

About 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol

1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol (PubChem CID 106672758) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
PubChem CID106672758
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
SMILESCC(O)c1cccc(S(=O)(=O)N2CC(O)C(O)C2)c1
InChIInChI=1S/C12H17NO5S/c1-8(14)9-3-2-4-10(5-9)19(17,18)13-6-11(15)12(16)7-13/h2-5,8,11-12,14-16H,6-7H2,1H3
InChIKeyXTLUXJNNTFJIMZ-UHFFFAOYSA-N
XLogP-0.53
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
CID 64693296
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 62124169
1-[3-(aminomethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106668585
1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)phenyl]ethanol
CID 64576058
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 120766881
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607121
1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
CID 61428098
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol (CID 106672758) is 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol is CC(O)c1cccc(S(=O)(=O)N2CC(O)C(O)C2)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol?
The InChIKey is XTLUXJNNTFJIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8(14)9-3-2-4-10(5-9)19(17,18)13-6-11(15)12(16)7-13/h2-5,8,11-12,14-16H,6-7H2,1H3.
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol?
1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol has a molecular weight of 287.34 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).