1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol

C18H17FN2O3S — CID 126583951

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CCC(O)C1
InChIInChI=1S/C18H17FN2O3S/c19-13-3-6-16-17(10-20-18(16)9-13)12-1-4-15(5-2-12)25(23,24)21-8-7-14(22)11-21/h1-6,9-10,14,20,22H,7-8,11H2
InChIKeyZVXBJCWWVUKJDZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol

1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol (PubChem CID 126583951) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
PubChem CID126583951
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CCC(O)C1
InChIInChI=1S/C18H17FN2O3S/c19-13-3-6-16-17(10-20-18(16)9-13)12-1-4-15(5-2-12)25(23,24)21-8-7-14(22)11-21/h1-6,9-10,14,20,22H,7-8,11H2
InChIKeyZVXBJCWWVUKJDZ-UHFFFAOYSA-N
XLogP2.73
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 126584248
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 135285771
[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
CID 126583937
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 135285794
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 126584154
3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfanylamino]-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 126584397
1-(2,3-dihydroxypropyl)-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one
CID 135285711
1-[2-(dimethylamino)ethyl]-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one
CID 126574642
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
1-[[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-3-hydroxypiperidin-3-yl]methyl]pyrrolidin-2-one
CID 126574746
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol (CID 126583951) is 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CCC(O)C1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is ZVXBJCWWVUKJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c19-13-3-6-16-17(10-20-18(16)9-13)12-1-4-15(5-2-12)25(23,24)21-8-7-14(22)11-21/h1-6,9-10,14,20,22H,7-8,11H2.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol?
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 360.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 126583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).