1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine

C11H14FNO3S — CID 108781060

IUPAC1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
SMILESCOC1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO3S/c1-16-10-6-7-13(8-10)17(14,15)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyHAZQQILQFTYMHZ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.24
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine

1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine (PubChem CID 108781060) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
PubChem CID108781060
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
SMILESCOC1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO3S/c1-16-10-6-7-13(8-10)17(14,15)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyHAZQQILQFTYMHZ-UHFFFAOYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
1-[3-(chloromethyl)-4-fluorophenyl]sulfonyl-3-methoxypyrrolidine
CID 103541203
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412
1-[4-(3-chloropropoxy)phenyl]sulfonyl-3-methoxypyrrolidine
CID 103541193
1-[2-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 103541366
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine (CID 108781060) is 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine is COC1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine?
The InChIKey is HAZQQILQFTYMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-16-10-6-7-13(8-10)17(14,15)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine?
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine has a molecular weight of 259.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine is sourced from PubChem (CID 108781060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).