methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

C12H14FNO4S — CID 43409871

IUPACmethyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO4S/c1-18-12(15)11-6-3-7-14(11)19(16,17)10-5-2-4-9(13)8-10/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyFUBWNGPOHISKLR-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.15
Rot. Bonds3

About methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 43409871) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID43409871
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Namemethyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO4S/c1-18-12(15)11-6-3-7-14(11)19(16,17)10-5-2-4-9(13)8-10/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyFUBWNGPOHISKLR-UHFFFAOYSA-N
XLogP1.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3,5-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409906
methyl 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 81259925
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687
methyl 1-(3-bromophenyl)sulfonylpiperidine-2-carboxylate
CID 60700632
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558
1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide
CID 166373358
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
methyl (2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 51666760

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate (CID 43409871) is methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is FUBWNGPOHISKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-18-12(15)11-6-3-7-14(11)19(16,17)10-5-2-4-9(13)8-10/h2,4-5,8,11H,3,6-7H2,1H3.
What are the key properties of methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 43409871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).