(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine

C10H11FINO2S — CID 58293231

IUPAC(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(I)cc1)N1CC[C@H](F)C1
InChIInChI=1S/C10H11FINO2S/c11-8-5-6-13(7-8)16(14,15)10-3-1-9(12)2-4-10/h1-4,8H,5-7H2/t8-/m0/s1
InChIKeyXALYXRTVURHKNS-QMMMGPOBSA-N
MW355.17 g/mol
LogP2.02
Rot. Bonds2

About (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine

(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine (PubChem CID 58293231) has the molecular formula C10H11FINO2S and a molecular weight of 355.17 g/mol. Its IUPAC name is (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
PubChem CID58293231
Molecular FormulaC10H11FINO2S
Molecular Weight355.17 g/mol
Exact Mass354.95
IUPAC Name(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(I)cc1)N1CC[C@H](F)C1
InChIInChI=1S/C10H11FINO2S/c11-8-5-6-13(7-8)16(14,15)10-3-1-9(12)2-4-10/h1-4,8H,5-7H2/t8-/m0/s1
InChIKeyXALYXRTVURHKNS-QMMMGPOBSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 67222791
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole
CID 3753504
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine (CID 58293231) is (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(I)cc1)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine?
The InChIKey is XALYXRTVURHKNS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11FINO2S/c11-8-5-6-13(7-8)16(14,15)10-3-1-9(12)2-4-10/h1-4,8H,5-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine?
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine has a molecular weight of 355.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 58293231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).