4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide

C15H22N2O3S — CID 43886220

IUPAC4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-5-12(2)16-21(19,20)14-9-7-13(8-10-14)17-11-4-6-15(17)18/h7-10,12,16H,3-6,11H2,1-2H3
InChIKeyGYPRBLMCYYFSGH-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.28
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide (PubChem CID 43886220) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
PubChem CID43886220
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-5-12(2)16-21(19,20)14-9-7-13(8-10-14)17-11-4-6-15(17)18/h7-10,12,16H,3-6,11H2,1-2H3
InChIKeyGYPRBLMCYYFSGH-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 94027782
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
CID 2231639
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30382255
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51249075

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide (CID 43886220) is 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is GYPRBLMCYYFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-5-12(2)16-21(19,20)14-9-7-13(8-10-14)17-11-4-6-15(17)18/h7-10,12,16H,3-6,11H2,1-2H3.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43886220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).