1-(4-iodophenyl)sulfonylpyrrolidin-3-ol

C10H12INO3S — CID 62918644

IUPAC1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(I)cc1)N1CCC(O)C1
InChIInChI=1S/C10H12INO3S/c11-8-1-3-10(4-2-8)16(14,15)12-6-5-9(13)7-12/h1-4,9,13H,5-7H2
InChIKeyQCKWBZLJUQZKAE-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.05
Rot. Bonds2

About 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol

1-(4-iodophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62918644) has the molecular formula C10H12INO3S and a molecular weight of 353.18 g/mol. Its IUPAC name is 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62918644
Molecular FormulaC10H12INO3S
Molecular Weight353.18 g/mol
Exact Mass352.96
IUPAC Name1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(I)cc1)N1CCC(O)C1
InChIInChI=1S/C10H12INO3S/c11-8-1-3-10(4-2-8)16(14,15)12-6-5-9(13)7-12/h1-4,9,13H,5-7H2
InChIKeyQCKWBZLJUQZKAE-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 67222791
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 58293231
1-(4-hydrazinylphenyl)sulfonylpyrrolidin-3-ol
CID 62941759
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol (CID 62918644) is 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(I)cc1)N1CCC(O)C1.
What is the InChIKey of 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is QCKWBZLJUQZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3S/c11-8-1-3-10(4-2-8)16(14,15)12-6-5-9(13)7-12/h1-4,9,13H,5-7H2.
What are the key properties of 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol?
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 353.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62918644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).