[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H13N3O3S — CID 168683120

IUPAC[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#Cc1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H13N3O3S/c13-6-9-2-1-3-11(4-9)15-7-10(5-12(15)16)8-19(14,17)18/h1-4,10H,5,7-8H2,(H2,14,17,18)
InChIKeyKFJLDLGVIUKWBD-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.20
Rot. Bonds3

About [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683120) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683120
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#Cc1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H13N3O3S/c13-6-9-2-1-3-11(4-9)15-7-10(5-12(15)16)8-19(14,17)18/h1-4,10H,5,7-8H2,(H2,14,17,18)
InChIKeyKFJLDLGVIUKWBD-UHFFFAOYSA-N
XLogP0.20
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680676
[1-(4-cyano-2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682303
[1-[3-(hydrazinecarbonyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683124
[1-[5-cyano-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680980
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[5-oxo-1-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683188
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[5-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683137
methyl 2-cyano-4-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoate
CID 168681036
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683120) is [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is N#Cc1cccc(N2CC(CS(N)(=O)=O)CC2=O)c1.
What is the InChIKey of [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is KFJLDLGVIUKWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-6-9-2-1-3-11(4-9)15-7-10(5-12(15)16)8-19(14,17)18/h1-4,10H,5,7-8H2,(H2,14,17,18).
What are the key properties of [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).