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

C12H16FNO3S — CID 3416067

IUPAC1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3S/c1-17-9-11-5-3-7-14(11)18(15,16)12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKeyINQBJDPODHZBAY-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.63
Rot. Bonds4

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

1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine (PubChem CID 3416067) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
PubChem CID3416067
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3S/c1-17-9-11-5-3-7-14(11)18(15,16)12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKeyINQBJDPODHZBAY-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine (CID 3416067) is 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine is COCC1CCCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is INQBJDPODHZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-17-9-11-5-3-7-14(11)18(15,16)12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
1-(3-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 273.33 g/mol, XLogP of 1.63, 4 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-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 3416067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).