1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide

C11H11N3O3S — CID 168718987

IUPAC1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1ccccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H11N3O3S/c12-6-8-3-1-2-4-10(8)14-7-9(5-11(14)15)18(13,16)17/h1-4,9H,5,7H2,(H2,13,16,17)
InChIKeyJLPDUSFKWUQKNG-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.05
Rot. Bonds2

About 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718987) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718987
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1ccccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H11N3O3S/c12-6-8-3-1-2-4-10(8)14-7-9(5-11(14)15)18(13,16)17/h1-4,9H,5,7H2,(H2,13,16,17)
InChIKeyJLPDUSFKWUQKNG-UHFFFAOYSA-N
XLogP-0.05
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677255
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
1-(5-cyano-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717724
1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718905
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717734
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719152
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718987) is 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide is N#Cc1ccccc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is JLPDUSFKWUQKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-6-8-3-1-2-4-10(8)14-7-9(5-11(14)15)18(13,16)17/h1-4,9H,5,7H2,(H2,13,16,17).
What are the key properties of 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 265.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).