N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide

C12H16N2O3S — CID 60675578

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C12H16N2O3S/c1-2-18(16,17)13-10-6-3-4-7-11(10)14-9-5-8-12(14)15/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyYTLQSFRFTDRQNM-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide

N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 60675578) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
PubChem CID60675578
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C12H16N2O3S/c1-2-18(16,17)13-10-6-3-4-7-11(10)14-9-5-8-12(14)15/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyYTLQSFRFTDRQNM-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 25358999
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841824
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8841812
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
CID 76885109
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
CID 43106173
(2S)-2-amino-4-methylsulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61274381

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide (CID 60675578) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is YTLQSFRFTDRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-18(16,17)13-10-6-3-4-7-11(10)14-9-5-8-12(14)15/h3-4,6-7,13H,2,5,8-9H2,1H3.
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 60675578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).