2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C13H15N3O3S — CID 110712533

IUPAC2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H15N3O3S/c14-9-11-5-1-2-6-12(11)20(18,19)15-10-13(17)16-7-3-4-8-16/h1-2,5-6,15H,3-4,7-8,10H2
InChIKeyXMRIIOCMWOVKGJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.46
Rot. Bonds4

About 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 110712533) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID110712533
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H15N3O3S/c14-9-11-5-1-2-6-12(11)20(18,19)15-10-13(17)16-7-3-4-8-16/h1-2,5-6,15H,3-4,7-8,10H2
InChIKeyXMRIIOCMWOVKGJ-UHFFFAOYSA-N
XLogP0.46
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852268
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 891761
N,4-dimethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide
CID 770953
N-(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)-2-pyrrolidin-1-ylacetamide
CID 3240260
4-Methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 893415
N,N-Diethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 2136272
2-(4-Acetylpiperazin-1-yl)sulfonylbenzonitrile
CID 3803220
2-[(3-cyanophenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 4779930
N-[(3S,4R)-1-acetyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-cyanobenzenesulfonamide
CID 91923089
Benzonitrile, 4-[(3-oxo-1-piperazinyl)sulfonyl]-
CID 8321475
2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]-ethylamino]-N-methylacetamide
CID 45897934
N-[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 18460930

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 110712533) is 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is XMRIIOCMWOVKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-9-11-5-1-2-6-12(11)20(18,19)15-10-13(17)16-7-3-4-8-16/h1-2,5-6,15H,3-4,7-8,10H2.
What are the key properties of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110712533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).