1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C12H14FNO4S — CID 168714278

IUPAC1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cccc(N2CC(S(=O)(=O)F)CC2=O)c1C
InChIInChI=1S/C12H14FNO4S/c1-8-10(4-3-5-11(8)18-2)14-7-9(6-12(14)15)19(13,16)17/h3-5,9H,6-7H2,1-2H3
InChIKeyUFEOTDFRKVLGAM-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.41
Rot. Bonds3

About 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714278) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714278
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cccc(N2CC(S(=O)(=O)F)CC2=O)c1C
InChIInChI=1S/C12H14FNO4S/c1-8-10(4-3-5-11(8)18-2)14-7-9(6-12(14)15)19(13,16)17/h3-5,9H,6-7H2,1-2H3
InChIKeyUFEOTDFRKVLGAM-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714044
1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715679
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 83807533

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714278) is 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cccc(N2CC(S(=O)(=O)F)CC2=O)c1C.
What is the InChIKey of 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is UFEOTDFRKVLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-8-10(4-3-5-11(8)18-2)14-7-9(6-12(14)15)19(13,16)17/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 287.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).