1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol

C10H13NO4S — CID 81258512

IUPAC1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC(O)C1
InChIInChI=1S/C10H13NO4S/c12-8-2-1-3-10(6-8)16(14,15)11-5-4-9(13)7-11/h1-3,6,9,12-13H,4-5,7H2
InChIKeyKLBHGTWXARZZRZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.15
Rot. Bonds2

About 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol

1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 81258512) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
PubChem CID81258512
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC(O)C1
InChIInChI=1S/C10H13NO4S/c12-8-2-1-3-10(6-8)16(14,15)11-5-4-9(13)7-11/h1-3,6,9,12-13H,4-5,7H2
InChIKeyKLBHGTWXARZZRZ-UHFFFAOYSA-N
XLogP0.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534
3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 55132313
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenol
CID 81265123
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
1-(4-hydrazinylphenyl)sulfonylpyrrolidin-3-ol
CID 62941759
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenol
CID 114538277

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol (CID 81258512) is 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1cccc(O)c1)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is KLBHGTWXARZZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-8-2-1-3-10(6-8)16(14,15)11-5-4-9(13)7-11/h1-3,6,9,12-13H,4-5,7H2.
What are the key properties of 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol?
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 243.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 81258512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).