N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide

C13H18N2O3S — CID 11289056

IUPACN-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(CC2CCC(=O)N2)c1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)15-12-5-3-4-10(9-12)8-11-6-7-13(16)14-11/h3-5,9,11,15H,2,6-8H2,1H3,(H,14,16)
InChIKeyUYCSLBYUVSVGFO-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.27
Rot. Bonds5

About N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide

N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 11289056) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide
PubChem CID11289056
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(CC2CCC(=O)N2)c1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)15-12-5-3-4-10(9-12)8-11-6-7-13(16)14-11/h3-5,9,11,15H,2,6-8H2,1H3,(H,14,16)
InChIKeyUYCSLBYUVSVGFO-UHFFFAOYSA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzylpyrrolidin-2-one
CID 740530
N-[3-[2-[cyclopropyl(methyl)amino]ethyl]phenyl]ethanesulfonamide
CID 75510363
N-[3-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]ethanesulfonamide
CID 17052499
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
CID 107529293
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
CID 168924991
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide (CID 11289056) is N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(CC2CCC(=O)N2)c1.
What is the InChIKey of N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide?
The InChIKey is UYCSLBYUVSVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-19(17,18)15-12-5-3-4-10(9-12)8-11-6-7-13(16)14-11/h3-5,9,11,15H,2,6-8H2,1H3,(H,14,16).
What are the key properties of N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide?
N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-oxopyrrolidin-2-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 11289056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).