1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine

C14H14FNO2S2 — CID 18170893

IUPAC1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC1c1cccs1
InChIInChI=1S/C14H14FNO2S2/c15-11-4-1-5-12(10-11)20(17,18)16-8-2-6-13(16)14-7-3-9-19-14/h1,3-5,7,9-10,13H,2,6,8H2
InChIKeyCBQXHBIXUYWHMN-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.41
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine

1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (PubChem CID 18170893) has the molecular formula C14H14FNO2S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
PubChem CID18170893
Molecular FormulaC14H14FNO2S2
Molecular Weight311.40 g/mol
Exact Mass311.04
IUPAC Name1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC1c1cccs1
InChIInChI=1S/C14H14FNO2S2/c15-11-4-1-5-12(10-11)20(17,18)16-8-2-6-13(16)14-7-3-9-19-14/h1,3-5,7,9-10,13H,2,6,8H2
InChIKeyCBQXHBIXUYWHMN-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 26947446
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 41292185
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 51883239
1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (CID 18170893) is 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is O=S(=O)(c1cccc(F)c1)N1CCCC1c1cccs1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is CBQXHBIXUYWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S2/c15-11-4-1-5-12(10-11)20(17,18)16-8-2-6-13(16)14-7-3-9-19-14/h1,3-5,7,9-10,13H,2,6,8H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 311.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 18170893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).