1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole

C10H10FNO2S — CID 3830927

IUPAC1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
SMILESO=S(=O)(c1cccc(F)c1)N1CC=CC1
InChIInChI=1S/C10H10FNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h1-5,8H,6-7H2
InChIKeyXQABNOARMKARRI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.39
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole

1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 3830927) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID3830927
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
SMILESO=S(=O)(c1cccc(F)c1)N1CC=CC1
InChIInChI=1S/C10H10FNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h1-5,8H,6-7H2
InChIKeyXQABNOARMKARRI-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 55352199
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CID 3715757
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CID 53164994
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 83290781
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
(2R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CID 8966358
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
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1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione
CID 2663722

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole (CID 3830927) is 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole is O=S(=O)(c1cccc(F)c1)N1CC=CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is XQABNOARMKARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h1-5,8H,6-7H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole?
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 227.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 3830927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).