1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

C11H13FN2O4S — CID 168717376

IUPAC1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(F)ccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13FN2O4S/c1-18-10-4-7(12)2-3-9(10)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17)
InChIKeyXLCDJJBNNDLLJM-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.23
Rot. Bonds3

About 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717376) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717376
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(F)ccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13FN2O4S/c1-18-10-4-7(12)2-3-9(10)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17)
InChIKeyXLCDJJBNNDLLJM-UHFFFAOYSA-N
XLogP0.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717626
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714044
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717109

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717376) is 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is COc1cc(F)ccc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is XLCDJJBNNDLLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c1-18-10-4-7(12)2-3-9(10)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 288.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).