1-(4-fluorophenyl)sulfonylpyrrolidine

C10H12FNO2S — CID 796578

IUPAC1-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyBLFZDHIRHPQTDJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.61
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonylpyrrolidine

1-(4-fluorophenyl)sulfonylpyrrolidine (PubChem CID 796578) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpyrrolidine
PubChem CID796578
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyBLFZDHIRHPQTDJ-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylbenzenesulfonamide
CID 74367
1-(Phenylsulfonyl)piperidine
CID 78733
n,n-Dibutylbenzenesulfonamide
CID 220596
1-(Phenylsulfonyl)pyrrolidine
CID 246138
1-((4-Fluorophenyl)sulfonyl)pyrrolidin-2-one
CID 3161862
Benzenesulfonamide, N,N-bis(2-cyanoethyl)-
CID 101352
N,N-diethyl-4-fluorobenzenesulfonamide
CID 669059
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
1-(4-Methylsulfanylphenyl)sulfonylpyrrolidine
CID 967574
4-(Pyrrolidin-1-ylsulfonyl)benzenesulfonamide
CID 788064
3-fluoro-N,N-dimethylbenzenesulfonamide
CID 60639836
1-((3-(Trifluoromethyl)phenyl)sulfonyl)pyrrolidine
CID 737167

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidine (CID 796578) is 1-(4-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is BLFZDHIRHPQTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylpyrrolidine?
1-(4-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 229.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 796578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).