1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H14FNO4S — CID 168714138

IUPAC1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1ccccc1CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H14FNO4S/c1-18-11-5-3-2-4-9(11)7-14-8-10(6-12(14)15)19(13,16)17/h2-5,10H,6-8H2,1H3
InChIKeyCPIONNIHWBSOGJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.10
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714138) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714138
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1ccccc1CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H14FNO4S/c1-18-11-5-3-2-4-9(11)7-14-8-10(6-12(14)15)19(13,16)17/h2-5,10H,6-8H2,1H3
InChIKeyCPIONNIHWBSOGJ-UHFFFAOYSA-N
XLogP1.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714971
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714969
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
1-[2-(2-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714885
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714487
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
1-[(2,3-dimethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708609

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714138) is 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is COc1ccccc1CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is CPIONNIHWBSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-18-11-5-3-2-4-9(11)7-14-8-10(6-12(14)15)19(13,16)17/h2-5,10H,6-8H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 287.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).