1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine

C12H16FNO3S — CID 64570512

IUPAC1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C12H16FNO3S/c1-17-9-10-6-7-14(8-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeyZRTRHYRUPPOIMV-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine

1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine (PubChem CID 64570512) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
PubChem CID64570512
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C12H16FNO3S/c1-17-9-10-6-7-14(8-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeyZRTRHYRUPPOIMV-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
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3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
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N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
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CID 114960772
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-3-(methoxymethyl)pyrrolidine
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(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345493
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
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CID 105117541

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine (CID 64570512) is 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine is COCC1CCN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine?
The InChIKey is ZRTRHYRUPPOIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-17-9-10-6-7-14(8-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine?
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine has a molecular weight of 273.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 64570512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).